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Ningbo Pangs Chem Int'l Co., Ltd.

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Profile: Ningbo Pangs Chem Int'l Co., Ltd. is a supplier of natural plant extracts, nutritional supplements and chemical materials. Our product line includes pharmaceutical chemicals such as 4-hydroxycoumarin, 5-fluorouracil, adenine, baclofen, biapenem, captopril, dimetridazole, glimepiride, nateglinide, niflumic acid, morniflumate, chitosan and metoprolol. We offer nutritional additives such as fructose, chondroitin sulfate, melatonin, calcium caseinate, calcium citrate, calcium gluconate, ferrous lactate and potassium sorbate.

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• 1,3-Dimethyl-5-Pyrazolone
IUPAC Name: 2,5-dimethyl-4H-pyrazol-3-one | CAS Registry Number: 2749-59-9
Synonyms: NSC304, 1,3-Dimethyl-5-pyrazolone, 1,3-Dimethyl-5-pyrazolinone, 2-Pyrazolin-5-one, 1,3-dimethyl-, CID17673, EINECS 220-389-2, ZINC00162113, 3H-Pyrazol-3-one, 2,4-dihydro-2,5-dimethyl-, 2,4-DIHYDRO-2,5-DIMETHYL-3H-PYRAZOL-3-ONE

Molecular Formula: C5H8N2OMolecular Weight: 112.129820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NDELSWXIAJLWOU-UHFFFAOYSA-N

• 2-(4-Bromomethyl phenyl) Propionic Acid
IUPAC Name: (2R)-2-[4-(bromomethyl)phenyl]propanoate | CAS Registry Number: 111128-12-2
Synonyms: ZINC02576953, ZINC04283572, CID7167707

Molecular Formula: C10H10BrO2-Molecular Weight: 242.089200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QQXBRVQJMKBAOZ-SSDOTTSWSA-M

• 2-Bromo-6-methoxynaphthalene
IUPAC Name: 2-bromo-6-methoxynaphthalene | CAS Registry Number: 5111-65-9
Synonyms: Naphthalene, 2-bromo-6-methoxy-, 6-Methoxy-2-bromonaphthalene, 6-Bromo-2-naphthylmethylether, NSC3236, 200174_ALDRICH, 17540_FLUKA, CID78786, NSC 3236, EINECS 225-837-0, ZINC00164677, AI3-18465, ST5308358, InChI=1/C11H9BrO/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7H,1H

Molecular Formula: C11H9BrOMolecular Weight: 237.092560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: AYFJBMBVXWNYLT-UHFFFAOYSA-N

• 2-Methyl-5-Chloro Benzothiazole
IUPAC Name: 5-chloro-2-methyl-1,3-benzothiazole | CAS Registry Number: 1006-99-1
Synonyms: 5-Chloro-2-methylbenzothiazole, USAF EK-P-4382, NSC8453, BENZOTHIAZOLE, 5-CHLORO-2-METHYL-, 545775_ALDRICH, 2-methyl-5-chloro benzothiazole, NSC 8453, EINECS 213-746-9, WLN: T56 BN DSJ C1 HG, CID13873, BRN 0120802, ZINC00294925, 5-CHLORO-2-METHYL BENZOTHIAZOLE, LS-40720, SL-02107, TL8006913, 4-27-00-01086 (Beilstein Handbook Reference), InChI=1/C8H6ClNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H

Molecular Formula: C8H6ClNSMolecular Weight: 183.657940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XCALAYIRFYALSX-UHFFFAOYSA-N

• 2-Amino-6-ethoxybenzothiazole
IUPAC Name: 6-ethoxy-1,3-benzothiazol-2-amine | CAS Registry Number: 94-45-1
Synonyms: 2-AMINO-6-ETHOXYBENZOTHIAZOLE, 2-Benzothiazolamine, 6-ethoxy-, 6-Ethoxy-2-aminobenzothiazole, 6-Ethoxybenzothiazol-2-ylamine, Oprea1_138686, A54008_ALDRICH, Benzothiazole, 2-amino-6-ethoxy-, EINECS 202-333-9, 6-Ethoxy-1,3-benzothiazol-2-amine, NSC 28731, NSC28731, SBB003602, ZINC00125639, 6-ethoxy-1,3-benzothiazol-2-ylamine, LS-1963, 2-Benzothiazolamine, 6-ethoxy- (9CI), NCGC00091160-01, 2-AMINO-6-ETHOXYBENZOTHIAZOLE HCl, Benzothiazole, 2-amino-6-ethoxy- (8CI), AE-641/00784023

Molecular Formula: C9H10N2OSMolecular Weight: 194.253500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KOYJWFGMEBETBU-UHFFFAOYSA-N

• (2s, 6r)-6-amino-2-(2-thienyl)-1,4-thiazepan
IUPAC Name: (2S,6R)-6-amino-2-thiophen-2-yl-1,4-thiazepan-5-one | CAS Registry Number: 110221-26-6
Synonyms: (2S,6R)-6-amino-2-(2-thienyl)-1,4-thiazepan-5-one, (2S,6R)-6-amino-2-(thiophen-2-yl)-1,4-thiazepan-5-one, 6-Amino-2-thiophen-2-yl-[1,4]thiazepan-5-one, (2S,6R)-6-Amino-5-oxo-2-(2-thienyl)perhydro-1,4-thiazepine, PubChem10603, CTK0H4443, MolPort-003-844-573, BH006, ACT08759, ANW-44825, FC0006, RW2421, SBB070594, SC3641, AKOS015918385, AC-4304, AG-D-27509, MB06253, AK-25290, KB-62739

Molecular Formula: C9H12N2OS2Molecular Weight: 228.334380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: JIKPFDXBWSSTCF-XPUUQOCRSA-N

• 1,3-Dimethylbarbituric Acid
IUPAC Name: 1,3-dimethyl-1,3-diazinane-2,4,6-trione | CAS Registry Number: 769-42-6
Synonyms: 1,3-Dimethylbarbituric acid, N,N'-Dimethylbarbituric acid, Barbituric acid, 1,3-dimethyl-, 318000_ALDRICH, 39565_FLUKA, TOS-BB-1003, NSC61918, EINECS 212-211-7, NSC 61918, ZINC03008697, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-, 1,3-Dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione, ST5171030, TL8005287, AE-848/30739017, 1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 213833-88-6, 41949-07-9

Molecular Formula: C6H8N2O3Molecular Weight: 156.139320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VVSASNKOFCZVES-UHFFFAOYSA-N

• 2-Nitrophenylacetic acid
IUPAC Name: 2-(2-nitrophenyl)acetic acid | CAS Registry Number: 3740-52-1
Synonyms: o-Nitrophenylacetic acid, Benzeneacetic acid, 2-nitro-, (2-Nitrophenyl)acetic acid, 2-Nitrobenzeneacetic acid, 2-(o-Nitrophenyl)acetic acid, (ortho-Nitrophenyl)acetic acid, Acetic acid, (o-nitrophenyl)-, CCRIS 2336, Oprea1_132121, 130249_ALDRICH, 73648_FLUKA, EINECS 223-128-0, NSC 16624, NSC16624, BRN 1959243, AI3-31297, IVK/9315538, LS-12615, ST5406601, TL8002750

Molecular Formula: C8H7NO4Molecular Weight: 181.145480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WMUZDBZPDLHUMW-UHFFFAOYSA-N

• 1-Methylindole-3-acetonitrile
IUPAC Name: 2-(1-methylindol-3-yl)acetonitrile | CAS Registry Number: 51584-17-9
Synonyms: 1-Methyl indole-3-acetonitrile, AG-F-74792, 2-(1-methyl-1H-indol-3-yl)acetonitrile, zlchem 711, PubChem15860, SureCN5645566, CTK4J4517, ZLD0163, MolPort-003-986-913, ACT06053, 1H-Indole-3-acetonitrile,1-methyl-, SBB069250, STL218662, ZINC21299528, 2-(1-methylindol-3-yl)ethanenitrile, 1H-Indole-3-acetonitrile, 1-methyl-, AKOS005146229, (1-methyl-1H-indol-3-yl)acetonitrile, MCULE-2862148601, RP23252

Molecular Formula: C11H10N2Molecular Weight: 170.210500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DHAXZZYQEUESTH-UHFFFAOYSA-N

• 3-[[[(2S,4S)-4-Mercapto-1-(4-nitrobenzyloxy)carbonyl-2-pyrrolidinyl]carbonyl]amino]benzoic acid
Synonyms: 3-((2S,4S)-4-Mercapto-1-(((4-nitrobenzyl)oxy)carbonyl)pyrrolidine-2-carboxamido)benzoic acid, Ertapenem Side Chain, SCHEMBL4211429, Jsp004136, MolPort-003-987-563, 2-[[(3-Carboxyphenyl)amino]carbonyl]-4-mercapto-1-pyrrolidinecarboxylic acid (2S-cis)-1-[(4-nitrophenyl)methyl] ester, ANW-53028, CM0048, AKOS015889901, AJ-78391, AK-94049, R523, SC-44581, TC-141773, TL8006263, ST24028256, ST51051778, 3-[[[(2S,4S)-4-Mercapto-1-(4-nitrobenzyloxy), carbonyl-2-pyrrolidinyl]carbonyl]amino]benzoic acid, 3-[[[(2S, 4S)-4-mercapto-1-(4-nitrobenzyloxy)carbonyl-2-pyrrolidinyl]carbonyl]amino]benzoic acid

Molecular Formula: C20H19N3O7SMolecular Weight: 445.445760 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: RTQKWWOSWDCUMA-IRXDYDNUSA-N

• 1-Eth-1-ynyl-4-propylbenzene
IUPAC Name: 1-ethynyl-4-propylbenzene | CAS Registry Number: 62452-73-7
Synonyms: 4-Propylphenylacetylene, 1-ETH-1-YNYL-4-PROPYLBENZENE, 1-Ethynyl-4-propylbenzene, 4-n-Propylphenylacetylene, SBB055300, AG-G-29329, 1-ethynyl-4-propyl-benzene, PubChem10973, 4-ethynyl-1-propylbenzene, ACMC-209n3w, AC1MCQ07, P-PROPYLETHYNYLBENZENE, KSC491I8N, CTK3J1486, MolPort-000-141-936, ACN-S002658, ANW-34218, ZINC02555808, AKOS005146104, AC-4956

Molecular Formula: C11H12Molecular Weight: 144.212980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: UVFFOABHOIMLNB-UHFFFAOYSA-N

• 3-Carbamoymethyl-5-methylhexanoic acid
IUPAC Name: 3-(2-amino-2-oxoethyl)-5-methylhexanoic acid | CAS Registry Number: 181289-15-6
Synonyms: 3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid, PubChem15303, KSC914K6J, Jsp003715, CTK8B4564, MolPort-005-942-990, 3-iso-butyl-glutaric acid monoamide, ANW-45484, SBB067072, AKOS006289231, AC-7772, AM84634, AK-49513, O883, 3-(Carbamoylmethyl)-5-methylhexanoic acid, FT-0082878, FT-0651253, FT-0696295, A812604, I14-1018

Molecular Formula: C9H17NO3Molecular Weight: 187.236180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: NPDKTSLVWGFPQG-UHFFFAOYSA-N

• 2-Amino-4,6-Dihydroxy Pyrimidine
IUPAC Name: 2-amino-4-hydroxy-1H-pyrimidin-6-one | CAS Registry Number: 56-09-7
Synonyms: 2-Amino-4,6-dihydroxypyrimidine, 2-Amino-4,6-dioxypyrimidine, 2-Amino-4,6-pyrimidinedione, 4,6-Dihydroxy-2-aminopyrimidine, 2-Amino-4,6-pyrimidinediol, A50401_ALDRICH, 2-Amino-pyrimidine-4,6-diol, ARONIS023300, EINECS 200-256-5, 4(1H)-Pyrimidinone, 2-amino-6-hydroxy-, NSC 15920, NSC15920, NSC18692, 2-Amino-6-hydroxy-1H-pyrimidin-4-one, 2-Amino-6-hydroxy-4(1H)-pyrimidinone, SBB004246, SBB004247, ZINC02015904, BAS 00293369, LS-135839

Molecular Formula: C4H5N3O2Molecular Weight: 127.101400 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: AUFJTVGCSJNQIF-UHFFFAOYSA-N

• 2-Chloro-6-Fluorobenzaldehyde
IUPAC Name: 2-chloro-6-fluorobenzaldehyde | CAS Registry Number: 387-45-1
Synonyms: 2-Chloro-6-fluorobenzaldehyde, Benzaldehyde, 2-chloro-6-fluoro-, 141240_ALDRICH, 24615_FLUKA, EINECS 206-860-5, ZINC00151783, CID67847, JRD-0302, TL806240, LS-184874, ST5208666, 3S210933

Molecular Formula: C7H4ClFOMolecular Weight: 158.557463 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OACPOWYLLGHGCR-UHFFFAOYSA-N

• 2-Chlorobenzyl Cyanide
IUPAC Name: 2-(2-chlorophenyl)acetonitrile | CAS Registry Number: 2856-63-5
Synonyms: o-Chlorobenzyl cyanide, 2-Chlorobenzyl cyanide, 2-Chlorobenzeneacetonitrile, (o-Chlorophenyl)acetonitrile, (2-Chlorophenyl)acetonitrile, Benzeneacetonitrile, 2-chloro-, 188492_ALDRICH, Acetonitrile, (o-chlorophenyl)-, ALD-N036425, NSC39462, EINECS 220-669-4, NSC 39462, ZINC00406929, Benzeneacetonitrile, 2-chloro- (9CI), Acetonitrile, (o-chlorophenyl)- (8CI), InChI=1/C8H6ClN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5H

Molecular Formula: C8H6ClNMolecular Weight: 151.592940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MRDUURPIPLIGQX-UHFFFAOYSA-N

• 2-Methyl Piperazine
IUPAC Name: 2-methylpiperazine | CAS Registry Number: 109-07-9
Synonyms: 2-Methylpiperazine, Piperazine, 2-methyl-, Ambap7423, M72404_ALDRICH, NSC5277, NSC 5277, EINECS 203-644-2, CID66057, BRN 0383566, LS-112842, TL8000293, 5-23-03-00267 (Beilstein Handbook Reference), 75364-79-3

Molecular Formula: C5H12N2Molecular Weight: 100.162180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JOMNTHCQHJPVAZ-UHFFFAOYSA-N

• 3,5-Dimethoxybenzoic Acid
IUPAC Name: 3,5-dimethoxybenzoic acid | CAS Registry Number: 1132-21-4
Synonyms: 3,5-DIMETHOXYBENZOIC ACID, Benzoic acid, 3,5-dimethoxy-, D132004_ALDRICH, NSC8514, AIDS018092, AIDS-018092, NSC 8514, NSC43744, EINECS 214-473-8, NSC 43744, SBB007798, AI3-52341, TL8000393, AK-968/40724491, InChI=1/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H,10,11

Molecular Formula: C9H10O4Molecular Weight: 182.173300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: IWPZKOJSYQZABD-UHFFFAOYSA-N

• 2,2'-(5-Methyl-1,3-phenylene)di(2-methylpropanenitrile)
IUPAC Name: 2-[3-(2-cyanopropan-2-yl)-5-methylphenyl]-2-methylpropanenitrile | CAS Registry Number: 120511-72-0
Synonyms: 3,5-Bis(2-cyanoprop-2-yl)toluene, Pentamethyl-1,3-benzenediacetonitrile, 2,2'-(5-Methyl-1,3-phenylene)bis(2-methylpropanenitrile), 1,3-Benzenediacetonitrile,a1,a1,a3,a3,5-pentamethyl-, 2,2-(5-Methyl-1-,3-phenylene)di(2-methylpropiononitrile), PubChem14361, ACMC-1C6FE, AGN-PC-00R8FQ, SureCN1172829, CTK4B1911, MolPort-003-985-824, ANW-46631, SBB063217, ZINC21985858, AKOS005257888, AC-6803, AG-D-44789, 3,5-Bis(2-cyano-2-methylethyl)toluene, AK-55794, EN001317

Molecular Formula: C15H18N2Molecular Weight: 226.316820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SJECEXNMZXMXNE-UHFFFAOYSA-N

• 3,5-Difluoromandelic acid
IUPAC Name: 2-(3,5-difluorophenyl)-2-hydroxyacetic acid | CAS Registry Number: 132741-31-2
Synonyms: 541842_ALDRICH, CID588648, ST5407305, D1169

Molecular Formula: C8H6F2O3Molecular Weight: 188.128246 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: PHMLPPFFMSRWBK-UHFFFAOYSA-N

• 2-Bromopropiophenone
IUPAC Name: 2-bromo-1-phenylpropan-1-one | CAS Registry Number: 2114-00-3
Synonyms: 1-Benzoyl-1-bromoethane, alpha-Bromopropiophenone, 1-Bromoethyl phenyl ketone, 1-Propanone, 2-bromo-1-phenyl-, .alpha.-Bromopropiophenone, PROPIOPHENONE, 2-BROMO-, WLN: EY1&VR, B79684_ALDRICH, TL 336, 471607_ALDRICH, EINECS 218-307-5, NSC 89689, NSC89689, BRN 0508550, LS-125063, 4-07-00-00684 (Beilstein Handbook Reference), 78541-87-4

Molecular Formula: C9H9BrOMolecular Weight: 213.071160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WPDWOCRJBPXJFM-UHFFFAOYSA-N

• 3-Cyano-2-hydroxy-4-methoxypyridine
IUPAC Name: 4-methoxy-2-oxo-1H-pyridine-3-carbonitrile | CAS Registry Number: 21642-98-8
Synonyms: ZINC00168323, CID2786702, TL8006950, 2K-028, 1,2-Dihydro-4-methoxy-2-oxo-3-pyridinecarbonitrile, 4-Methoxy-2-oxo-1,2-dihydro-pyridine-3-carbonitrile, 3-Pyridinecarbonitrile, 1,2-dihydro-4-methoxy-2-oxo-

Molecular Formula: C7H6N2O2Molecular Weight: 150.134740 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MWGIDWPSRDMIQN-UHFFFAOYSA-N

• 1-Phenylpiperazine hydrochloride
IUPAC Name: 1-phenylpiperazine | CAS Registry Number: 2210-93-7
Synonyms: N-Phenylpiperazine, Phenylpiperazine, Piperazine, 1-phenyl-, 1-PHENYLPIPERAZINE, 1-Cyclohexylpiperazine, 1-Fenylpiperazin [Czech], N-Phenyldiethylenediamine, CCRIS 4334, P30004_ALDRICH, 75475_FLUKA, EINECS 202-165-6, CID7096, C10H14N2, BRN 0132157, SBB003943, AI3-26332, TL806457, LS-113091, 5-23-01-00160 (Beilstein Handbook Reference), AE-641/30105013

Molecular Formula: C10H14N2Molecular Weight: 162.231560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YZTJYBJCZXZGCT-UHFFFAOYSA-N

• 1-Benzylpiperidine-4-carboxylic acid ethyl ester
IUPAC Name: ethyl 1-(phenylmethyl)piperidine-4-carboxylate | CAS Registry Number: 24228-40-8
Synonyms: Oprea1_210266, Ethyl 1-benzylpiperidine-4-carboxylate, CID90423, SDCCGMLS-0066147.P001, EINECS 246-094-9, ST5320008

Molecular Formula: C15H21NO2Molecular Weight: 247.332740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ASQCOPJFYLJCGD-UHFFFAOYSA-N

• 1-(1,3-Benzodioxol-5-yl-methyl)piperazine
IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)piperazine | CAS Registry Number: 32231-06-4
Synonyms: 1-Piperonylpiperazine, Piperonyl piperazine, MLS001194789, 1-(3,4-Methylenedioxybenzyl)piperazine, 224952_ALDRICH, EINECS 250-968-5, BRN 0885038, Piperazine, 1-(3,4-methylenedioxybenzyl)-, BAS 00531883, SMR000554828, 1-(1,3-Benzodioxol-5-ylmethyl)piperazine, 1-Benzo[1,3]dioxol-5-ylmethyl-piperazine, LS-112853, ST5300067, TL8002450, 5-23-02-00526 (Beilstein Handbook Reference), 38063-96-6

Molecular Formula: C12H16N2O2Molecular Weight: 220.267640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: NBOOZXVYXHATOW-UHFFFAOYSA-N

• 3-Bromo-2-chlorothiophene
IUPAC Name: 3-bromo-2-chlorothiophene | CAS Registry Number: 40032-73-3
Synonyms: 512389_ALDRICH, ZINC01023254, ST5405450, InChI=1/C4H2BrClS/c5-3-1-2-7-4(3)6/h1-2

Molecular Formula: C4H2BrClSMolecular Weight: 197.480680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: KSHOQKKCPJELBV-UHFFFAOYSA-N

• 3-Thiophenecarbonyl chloride
IUPAC Name: thiophene-3-carbonyl chloride | CAS Registry Number: 41507-35-1
Synonyms: 3-Thenoyl chloride, EINECS 255-420-9, ZINC02504558, CC 13102

Molecular Formula: C5H3ClOSMolecular Weight: 146.594720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QTWBEVAYYDZLQL-UHFFFAOYSA-N

• 3,5-Dithia-1,7-heptanediol
IUPAC Name: 2-(2-hydroxyethylsulfanylmethylsulfanyl)ethanol | CAS Registry Number: 44860-68-6
Synonyms: Bis(2-hydroxyethylthio)methane, 3,5-Dithiaheptane-1,7-diol, NSC 2875, EINECS 256-166-1, NSC2875, 2,2'-(Methylenebis(thio))bisethanol, Ethanol, 2,2'-[methylenebis(thio)]bis-, NSC409772, 2,2'-[Methylenebis(thio)]bisethanol, Ethanol, 2,2'-(methylenebis(thio))bis-, AI3-18188, LS-66886

Molecular Formula: C5H12O2S2Molecular Weight: 168.277580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: GAECBAMNQFGJIM-UHFFFAOYSA-N

• 3-(Hydroxymethyl)piperidine
IUPAC Name: piperidin-3-ylmethanol | CAS Registry Number: 4606-65-9
Synonyms: 3-Piperidinemethanol, 3-Piperidinylmethanol, Piperidin-3-ylmethanol, 155233_ALDRICH, EINECS 225-013-0, TL8003195

Molecular Formula: C6H13NOMolecular Weight: 115.173520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: VUNPWIPIOOMCPT-UHFFFAOYSA-N

• 1-Methylindazole-3-carboxylic acid
IUPAC Name: 1-methylindazole-3-carboxylic acid | CAS Registry Number: 50890-83-0
Synonyms: 637645_ALDRICH, ALBB-006391, 1-methyl-1H-indazole-3-carboxylic acid, 1-Methyl-indazole-3-carboxylic acid, CID689105, SBB000193, TL8003376, AQ-358/41297702

Molecular Formula: C9H8N2O2Molecular Weight: 176.172020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: OVVDFORZEGKEJM-UHFFFAOYSA-N

• 4-Ethyl-4'-cyanobiphenyl
IUPAC Name: 4-(4-ethylphenyl)benzonitrile | CAS Registry Number: 58743-75-2
Synonyms: Ambap1007, 4-Cyano-4'-ethylbiphenyl, ZINC01260186, CID93890, EINECS 261-414-7, 4'-Ethyl(1,1'-biphenyl)-4-carbonitrile, 4'-Ethyl[1,1'-biphenyl]-4-carbonitrile, TL8003759, (1,1'-Biphenyl)-4-carbonitrile, 4'-ethyl-, [1,1'-Biphenyl]-4-carbonitrile, 4'-ethyl-

Molecular Formula: C15H13NMolecular Weight: 207.270420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DLLIPJSMDJCZRF-UHFFFAOYSA-N

• 2-Amino-3-nitrophenol
IUPAC Name: 2-amino-3-nitrophenol | CAS Registry Number: 603-85-0
Synonyms: 3-Nitro-2-aminophenol, Phenol, 2-amino-3-nitro-, 2-Hydroxy-6-nitroaniline, CCRIS 2544, 1-Hydroxy-2-amino-3-nitrobenzene, 297003_ALDRICH, EINECS 210-060-1, ZINC04272219, LS-188167, TL8002257

Molecular Formula: C6H6N2O3Molecular Weight: 154.123440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KUCWUAFNGCMZDB-UHFFFAOYSA-N

• 2,3-Dimethoxy-5-methyl-1,4-benzoquinone
IUPAC Name: 2,3-dimethoxy-5-methylcyclohexa-2,5-diene-1,4-dione | CAS Registry Number: 605-94-7
Synonyms: Ubiquinone-0, Coenzyme Q0, Ubiquinone 0, Ubiquinone-O, Ubiquinone Q0, CoQ0, nchembio.62-comp10, Ccris 7153, D9150_SIGMA, 2-Methyl-4,5-dimethoxy-p-quinone, 2,3-Dimethoxy-5-methylbenzoquinone, STOCK1N-17426, 2,3-Dimethoxy-5-methyl-p-benzoquinone, CHEBI:27906, 2,3-Dimethoxy-5-methylbenzo-1,4-quinone, 2-Methyl-5,6-dimethoxybenzoquinone, CID69068, EINECS 210-100-8, CPD0-1464, p-Benzoquinone, 2,3-dimethoxy-5-methyl-

Molecular Formula: C9H10O4Molecular Weight: 182.173300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: UIXPTCZPFCVOQF-UHFFFAOYSA-N

• 1-(2-Tetrahydrofuroyl)piperazine
IUPAC Name: oxolan-2-yl(piperazin-1-yl)methanone | CAS Registry Number: 63074-07-7
Synonyms: 1-(2-Tetrahydrofuroyl)-piperazine, 1-(Tetrahydro-2-furoyl)piperazine, SBB005794, TL8004377

Molecular Formula: C9H16N2O2Molecular Weight: 184.235540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UKESBLFBQANJHH-UHFFFAOYSA-N

• 1-(4-Chlorophenyl)-4,4-dimethyl-3-pentanone
IUPAC Name: 1-(4-chlorophenyl)-4,4-dimethylpentan-3-one | CAS Registry Number: 66346-01-8
Synonyms: HWG 1608-Alkylketon, ZINC02562558, CID94617, 3-Pentanone, 1-(4-chlorophenyl)-4,4-dimethyl-, LS-101927, TL8004699, 1-(4-chlorophenyl)-4,4-dimethylpentan-3-one, T5379927

Molecular Formula: C13H17ClOMolecular Weight: 224.726480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ILQGIJDYSLHIOX-UHFFFAOYSA-N

• 6-Chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
IUPAC Name: 6-chloro-1,3-dimethylpyrimidine-2,4-dione | CAS Registry Number: 6972-27-6
Synonyms: 6-Chloro-1,3-dimethyluracil, C5663_SIGMA, NSC61919, EINECS 230-205-2, ZINC00333864, ST5307850, 6-Chloro-2,4-dihydroxy-1,3-dimethylpyrimidine, AH-262/02642049, 6-chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione

Molecular Formula: C6H7ClN2O2Molecular Weight: 174.584980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VATQPUHLFQHDBD-UHFFFAOYSA-N

• 3-(1-Piperidinylmethyl)phenol
IUPAC Name: 3-(piperidin-1-ylmethyl)phenol | CAS Registry Number: 73279-04-6
Synonyms: 3-(1-Piperidinomethyl)phenol, 3-(piperidin-1-ylmethyl)phenol, 1-(3-Hydroxybenzyl)piperidine, AE-641/11702937, AG-G-89555, PubChem6815, ACMC-209oqd, AC1LGU1M, SureCN3154468, Oprea1_133944, 3-(1-piperidyl methyl)phenol, CTK5D7717, MolPort-002-801-163, Phenol,3-(1-piperidinylmethyl)-, ANW-36323, AKOS006343444, MCULE-8999393592, AC-19427, AK141974, KB-26385

Molecular Formula: C12H17NOMolecular Weight: 191.269480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ORGBERFQYFWYGX-UHFFFAOYSA-N

• (E)Ethyl4-(3,4-dimethoxyphenyl)-4-oxo-2-butenoate
IUPAC Name: (E)-4-(3,4-dimethoxyphenyl)-4-oxobut-2-enoic acid | CAS Registry Number: 80937-23-1
Synonyms: EINECS 279-631-0, BRN 3137849, 4-(3,4-Dimethoxyphenyl)-4-oxocrotonic acid, LS-47127, (E)-4-(3,4-Dimethoxyphenyl)-4-oxo-2-butenoic acid, 3-10-00-04602 (Beilstein Handbook Reference), 2-Butenoic acid, 4-(3,4-dimethoxyphenyl)-4-oxo-, (E)-, Acide (E)4-(3,4-dimethoxy-phenyl)-4-oxo-2-butenoique [French]

Molecular Formula: C12H12O5Molecular Weight: 236.220680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: QUWWWXPLUJFEHM-GQCTYLIASA-N

• 2-Chloro-1-(4-fluorobenzyl)benzimidazole
IUPAC Name: 2-chloro-1-[(4-fluorophenyl)methyl]benzimidazole | CAS Registry Number: 84946-20-3
Synonyms: 568694_ALDRICH, EINECS 284-624-0, CID3020241, 1-(4-Fluorobenzyl)-2-chlorobenzimidazole, 2-Chloro-1-(4-Fluorobenzyl)benzimidazole, 2-Chloro-1-(4-fluorobenzyl)-1H-benzimidazole, 2-Chloro-1-((4-fluorophenyl)methyl)-1H-benzimidazole

Molecular Formula: C14H10ClFN2Molecular Weight: 260.694003 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PGXALMVNIRPELS-UHFFFAOYSA-N

• 3-(Trifluoromethyl)pyrazole
IUPAC Name: 5-(trifluoromethyl)-1H-pyrazole | CAS Registry Number: 20154-03-4
Synonyms: 3-(trifluoromethyl)-1H-pyrazole, 5-(trifluoromethyl)-1H-pyrazole, 3-Trifluoromethylpyrazole, trifluoromethylpyrazole, 3-trifluoromethyl-1h-pyrazole, 1H-Pyrazole, 3-(trifluoromethyl)-, SBB000068, 1087160-38-0, ZINC04243565, PubChem10164, PubChem10423, ACMC-1CMGJ, AC1LXT7P, AC1Q4JHM, AC1Q4JHN, SureCN158876, SureCN255580, 3-(trifluoro methyl)pyrazole, KSC201S9J, 5-Trifluoromethyl-1H-pyrazole

Molecular Formula: C4H3F3N2Molecular Weight: 136.075230 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PYXNITNKYBLBMW-UHFFFAOYSA-N

• 2',3'-Dideoxyuridine
IUPAC Name: 1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione | CAS Registry Number: 5983-09-5
Synonyms: ddUrd, Ambap340, Uridine, 2',3'-dideoxy-, 323624_ALDRICH, AIDS000911, AIDS-000911, ZINC00120594, DDU, D2U

Molecular Formula: C9H12N2O4Molecular Weight: 212.202580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: BTOTXLJHDSNXMW-POYBYMJQSA-N

• 1-Benzyl-4-Phenylpiperazine
IUPAC Name: (1R)-1-pyridin-3-ylethanol | CAS Registry Number: 3074-46-2
Synonyms: 3-Pyridylmethylcarbinol, ZINC02383113, CID10796735, EN400-14316

Molecular Formula: C7H9NOMolecular Weight: 123.152460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QMDUEBURHKSKDG-ZCFIWIBFSA-N

• 1-Methyl-4-Ethoxycarbonylpyraole-5-Sulfonamide (CAS: 88396-81-6)
• 1-Phenyl-5-Mercaptotetrazole
IUPAC Name: 1-phenyl-2H-tetrazole-5-thione | CAS Registry Number: 86-93-1
Synonyms: Mercaptophenyltetrazole, Phenylmercaptotetrazole, 1-Phenyltetrazole-5-thiol, 1Ph5SHTetrazol, 1-Phenyltetrazole-thiol, 1-Phenyl-5-mercaptotetrazole, 1-Phenyltetrazoline-5-thione, 5-Mercapto-1-phenyltetrazole, 1-Phenyl-5-tetrazolethione, 5-Mercapto-1-phenyltetrazol, 1H-Tetrazole-5-thiol, 1-phenyl-, P3316_SIGMA, 2-Tetrazoline-5-thione, 1-phenyl-, WLN: T5NNNNJ AR& ESH, 169897_ALDRICH, 1-Phenyl-1H-tetrazole-5-thiol, 1-phenyl-1H-tetraazole-5-thiol, 78820_FLUKA, EINECS 201-710-5, NSC 24018

Molecular Formula: C7H6N4SMolecular Weight: 178.214340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GGZHVNZHFYCSEV-UHFFFAOYSA-N

• 3,3'-Diindolylmethane
IUPAC Name: 3-(1H-indol-3-ylmethyl)-1H-indole | CAS Registry Number: 1968-05-4
Synonyms: 3,3'-Diindolymethane, 3,3,-diindolylmethane, 3,3'-Methylenebis-1H-indole, Spectrum2_001711, Spectrum3_001989, Spectrum5_001955, bis-1H-indol-3-ylmethane, CCRIS 5806, CBiol_001839, Oprea1_472633, Oprea1_740951, 3,3'-methylenebis(1H-indole), BSPBio_001290, BSPBio_003589, CBDivE_010856, KBioGR_000010, KBioSS_000010, SPECTRUM1505331, SPBio_001722, 1H-Indole, 3,3'-methylenebis-

Molecular Formula: C17H14N2Molecular Weight: 246.306460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: VFTRKSBEFQDZKX-UHFFFAOYSA-N

• 2-Amino-4-Methylbenzothiazole
IUPAC Name: 4-methyl-1,3-benzothiazol-2-amine | CAS Registry Number: 1477-42-5
Synonyms: 2-Benzothiazolamine, 4-methyl-, 4-Methyl-2-benzothiazolamine, Benzothiazole, 2-amino-4-methyl-, 4-Methyl-2-aminobenzothiazole, 4-Methyl-2-aminobenzothiozole, 2-AMINO-4-METHYLBENZOTHIAZOLE, 4-Methylbenzothiazol-2-ylamine, 193224_ALDRICH, 4-Methylbenzothiazole-2-ylamine, EINECS 216-028-3, NSC 28732, AIDS038774, WLN: T56 BN DSJ CZ H1, AIDS-038774, NSC28732, BRN 0129346, 4-Methyl-1,3-benzothiazol-2-amine, LS-861, ZINC03861392, NCGC00091579-01

Molecular Formula: C8H8N2SMolecular Weight: 164.227520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GRIATXVEXOFBGO-UHFFFAOYSA-N

• 2-Amino-6-Methyl Benzothiazole
IUPAC Name: 6-methyl-1,3-benzothiazol-2-amine | CAS Registry Number: 2536-91-6
Synonyms: 2-Benzothiazolamine, 6-methyl-, 2-Amino-6-methylbenzothiazole, 2-Methylbenzothiazol-2-amine, 6-Methyl-2-aminobenzothiazole, Maybridge1_001143, 6-Methyl-2-benzothiazolylamine, 6-Methylbenzothiazol-2-ylamine, 2-Amino-6-methyl-benzothiazole, MLS000532186, 6-Methyl-1,3-benzothiazol-2-amine, BENZOTHIAZOLE, 2-AMINO-6-METHYL-, 288373_ALDRICH, SKF 1045, EINECS 219-801-3, NSC 12760, AIDS019697, NSC 118944, WLN: T56 BN DSJ CZ G1, AIDS-019697, NSC12760

Molecular Formula: C8H8N2SMolecular Weight: 164.227520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DZWTXWPRWRLHIL-UHFFFAOYSA-N

• 2-Bromothiophene
IUPAC Name: 2-bromothiophene | CAS Registry Number: 1003-09-4
Synonyms: 2-BROMOTHIOPHENE, Thiophene, 2-bromo-, 2-Thienyl bromide, sFpDAbHHRYSZZP@, 124168_ALDRICH, NSC4456, NSC 4456, EINECS 213-699-4, SBB003931, ZINC01673392, TL8000043, H23029, InChI=1/C4H3BrS/c5-4-2-1-3-6-4/h1-3

Molecular Formula: C4H3BrSMolecular Weight: 163.035620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: TUCRZHGAIRVWTI-UHFFFAOYSA-N

• 3,5-Dimethylpyrazole
IUPAC Name: 3,5-dimethyl-1H-pyrazole | CAS Registry Number: 67-51-6
Synonyms: 1H-Pyrazole, 3,5-dimethyl-, PYRAZOLE, 3,5-DIMETHYL-, 3,5-Dimethyl-1H-pyrazole, 3,5 DMP, 3,5-Dwumetylopirazolu [Polish], D182001_ALDRICH, TH 564, NSC 8729, 05091_FLUKA, 41540_FLUKA, EINECS 200-657-5, NSC8729, BRN 0106325, ZINC00594608, U 6245, LS-128466, TL8006579, 5-23-05-00110 (Beilstein Handbook Reference), AE-848/32586026, A1209/0055695

Molecular Formula: C5H8N2Molecular Weight: 96.130420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SDXAWLJRERMRKF-UHFFFAOYSA-N

• 1-Formylpiperazine
IUPAC Name: piperazine-1-carbaldehyde | CAS Registry Number: 7755-92-2
Synonyms: Formylpiperazine, N-Formylpiperazine, 1-Piperazinecarboxaldehyde, Piperazine-1-carbaldehyde, Piperazine-1-carboxaldehyde, 392243_ALDRICH, 47727_FLUKA, BB_SC-4847, EINECS 231-813-0, NSC511082, NSC 511082

Molecular Formula: C5H10N2OMolecular Weight: 114.145700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MSSDTZLYNMFTKN-UHFFFAOYSA-N

• 2-Chlorothioxanthone
IUPAC Name: 2-chlorothioxanthen-9-one | CAS Registry Number: 86-39-5
Synonyms: 2-Chlorothioxanthene, 2-Chlorothioxanthen-9-one, 2-Chloro-9H-thioxanthen-9-one, C72404_ALDRICH, MLS000584923, Thioxanthen-9-one, 2-chloro-, 9H-Thioxanthen-9-one, 2-chloro-, ZINC05019985, CID618848, SMR000207308, TL8005611, EU-0066618, InChI=1/C13H7ClOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7

Molecular Formula: C13H7ClOSMolecular Weight: 246.712080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZCDADJXRUCOCJE-UHFFFAOYSA-N


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