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Advanced Chemical Intermediates Ltd.

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Profile: Advanced Chemical Intermediates Ltd. specializes in novel intermediates and building blocks to chemical, pharmaceutical and life science industries. Our product line includes acid chlorides, acids, alcohols, aldehydes, amides, amidines, 1,2,3-thiadiazoles, 1,2,4-oxadiazoles, diazines and furans. We are also specialized in heterocyclic chemistry including nitrations, halogenations, oxidations, reductions, grignard reactions, sulphonations, diazotisations, benzenoid aromatics, analytical interpretation and amino acids. We also offer acetic acid 1,2-dibromo-ethyl ester, acetic acid 4-methyl-[1,2,3]thiadiazol-5-ylmethyl ester, 4-acetoxy-thiophene-3-carboxylic acid methyl ester, 5-acetyl-2-amino-4-methylpyrimidine and 5-acetyl-2-amino-4-methylpyrimidine.

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• Acid Chlorides (CAS: 68955-37-3)
• Aldehydes
IUPAC Name: formaldehyde

Molecular Formula: CH2OMolecular Weight: 30.025980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WSFSSNUMVMOOMR-UHFFFAOYSA-N

• Anhydrous
IUPAC Name: hydrazine | CAS Registry Number: 302-01-2
Synonyms: HYDRAZINE, Diamine, Diazane, Nitrogen hydride, Hydrazines, Levoxine, Hydrazine base, Hydrazin, Oxytreat 35, Hydrazine sulfate, Hydrazyna [Polish], Hydrazine solution, Hydrazine, anhydrous, Hydrazine (anhydrous), DIAMIDE, RCRA waste no. U133, RCRA waste number U133, CCRIS 335, H2NNH2, Hydrazine/Hydrazine sulfate

Molecular Formula: H4N2Molecular Weight: 32.045160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: OAKJQQAXSVQMHS-UHFFFAOYSA-N

• Benzenamine, 3-(4-Morpholinyl)-
IUPAC Name: 3-morpholin-4-ylaniline | CAS Registry Number: 159724-40-0
Synonyms: 3-(morpholin-4-yl)aniline, 3-Morpholin-4-yl-phenylamine, MolPort-000-004-969, ZINC00381810, CID847768, STK133091, BBV-182249, M67195

Molecular Formula: C10H14N2OMolecular Weight: 178.230960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZJWLMZURLIHVHE-UHFFFAOYSA-N

• Benzomorpholine
IUPAC Name: 3,4-dihydro-2H-1,4-benzoxazine | CAS Registry Number: 5735-53-5
Synonyms: ZINC04051098, 3,4-Dihydro-2H-1,4-benzoxazine, CID585096, 2H-1,4-Benzoxazine, 3,4-dihydro-, BBV-27027000, D16610

Molecular Formula: C8H9NOMolecular Weight: 135.163160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YRLORWPBJZEGBX-UHFFFAOYSA-N

• Benzothiophene
IUPAC Name: 1-benzothiophene | CAS Registry Number: 11095-43-5
Synonyms: 1-Benzothiophene, Benzothiofuran, Thianaphthene, Benzo[b]thiophene, Thionaphthene, Benzothiophen, Thianaphtene, Thianaphthen, 1-Thiaindene, BENZOTHIOPHENE, 2,3-Benzothiophene, BENZO(B)THIOPHENE, Benzothiophene (VAN), T27405_ALDRICH, 357790_ALDRICH, 12808_FLUKA, CHEBI:35858, NSC47196, EINECS 202-395-7, NSC 47196

Molecular Formula: C8H6SMolecular Weight: 134.198240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FCEHBMOGCRZNNI-UHFFFAOYSA-N

• Bromoketones
• Bromoxynil
IUPAC Name: 3,5-dibromo-4-hydroxybenzonitrile | CAS Registry Number: 1689-84-5
Synonyms: Brominal, BROMOXYNIL, Brominex, Brominil, Broxynil, Brittox, Buctril, Chipco buctril, Butilchorofos, Nu-lawn weeder, Bromotril, Labuctril, Novacorn, Pardner, Terset, Toplan, Oxytril M, Sabre, Butil chlorofos, Brominal Triple

Molecular Formula: C7H3Br2NOMolecular Weight: 276.912820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: UPMXNNIRAGDFEH-UHFFFAOYSA-N

• C-(3-chloro-5-trifluoromethyl-pyridin-2-yl)-methylamine
IUPAC Name: [3-chloro-5-(trifluoromethyl)pyridin-2-yl]methanamine;hydrochloride | CAS Registry Number: 175277-74-4
Synonyms: 326476-49-7, (3-Chloro-5-(trifluoromethyl)pyridin-2-yl)methanamine hydrochloride, [3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDYL]METHYLAMINE HYDROCHLORIDE, [3-chloro-5-(trifluoromethyl)pyridin-2-yl]methanamine Hydrochloride, 2-(Aminomethyl)-3-chloro-5-(trifluoromethyl)pyridine hydrochloride, SureCN637924, AGN-PC-00ACH3, CTK8C4634, MolPort-000-146-744, SPB06517, ANW-72580, SBB100202, WTI-10755, AKOS015846063, RP14067, AK-33726, KB-07423, KB-84743, FT-0648445, C-1190

Molecular Formula: C7H7Cl2F3N2Molecular Weight: 247.045090 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: DIEGHTBYTFRSDU-UHFFFAOYSA-N

• Chloroacetamidine hydrochloride
IUPAC Name: 2-chloroethanimidamide hydrochloride | CAS Registry Number: 10300-69-3
Synonyms: 591475_ALDRICH, NSC62189, 2-Chloroacetamidine monohydrochloride, EINECS 233-675-7, CID2776957, Ethanimidamide, 2-chloro-, monohydrochloride, AI3-51325, T5621378

Molecular Formula: C2H6Cl2N2Molecular Weight: 128.988440 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: GUPOZVHRTJYZCX-UHFFFAOYSA-N

• Dimethyl 2-Hydroxyterephthalate
IUPAC Name: dimethyl 2-hydroxybenzene-1,4-dicarboxylate | CAS Registry Number: 6342-72-9
Synonyms: Dimethyl 2-hydroxyterephthalate, NSC46640, CID240439, ZINC01678787, D1409

Molecular Formula: C10H10O5Molecular Weight: 210.183400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: CJOJIAKIRLKBOO-UHFFFAOYSA-N

• Esters (CAS: 105583-82-2)
• Ethyl 1,4-dimethylpiperazine-2-carboxylate
IUPAC Name: ethyl 1,4-dimethylpiperazine-2-carboxylate | CAS Registry Number: 90729-01-4
Synonyms: ethyl 1,4-dimethylpiperazine-2-carboxylate, AG-H-72338, Ethyl1,4-dimethylpiperazine-2-carboxylate, SDCCGMLS-0066144.P001, AC1MC5JO, SureCN1942173, CTK5G8355, MolPort-000-144-765, ACT03888, ANW-47736, SBB090477, AKOS006230001, RP03461, AK-28126, BR-28126, EN002327, KB-50657, FT-0625831, ST51053816, W9333

Molecular Formula: C9H18N2O2Molecular Weight: 186.251420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: RRXUQLWWJFBPKT-UHFFFAOYSA-N

• Ethyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
IUPAC Name: ethyl 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate | CAS Registry Number: 111493-74-4
Synonyms: ZINC00167418, CID2782970, 11M-320S

Molecular Formula: C8H9F3N2O2Molecular Weight: 222.164470 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: ZZEXDJGNURSJOF-UHFFFAOYSA-N

• Ethyl 2,4-dimethylthiazole-5-carboxylate
IUPAC Name: ethyl 2,4-dimethyl-1,3-thiazole-5-carboxylate | CAS Registry Number: 7210-77-7
Synonyms: ZINC00120231, ST5197455, Ethyl 2,4-dimethyl-1,3-thiazole-5-carboxylate, 5-Thiazolecarboxylic acid, 2,4-dimethyl-, ethyl ester

Molecular Formula: C8H11NO2SMolecular Weight: 185.243440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BXOIIRQIGYJTTB-UHFFFAOYSA-N

• Ethyl 2-(1H-1,3-benzimidazol-2-yl)acetate
IUPAC Name: ethyl 2-(1H-benzimidazol-2-yl)acetate | CAS Registry Number: 14741-71-0
Synonyms: TimTec1_005548, MLS000058853, ZERO/005569, MolPort-000-004-120, NSC207854, ethyl 1H-benzimidazol-2-ylacetate, CID308071, ZINC00059627, SDCCGMLS-0037014.P002, NCGC00054771-02, SMR000069422, H57050, (1H-Benzoimidazol-2-yl)-acetic acid ethyl ester, (1H-Benzoimidazol-2-yl)acetic acid, ethyl ester

Molecular Formula: C11H12N2O2Molecular Weight: 204.225180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JTVPWPDLKUQDAU-UHFFFAOYSA-N

• Ethyl 2-(4-chlorophenyl)-1,3-thiazole-4-carboxylate
IUPAC Name: ethyl 2-(4-chlorophenyl)-1,3-thiazole-4-carboxylate | CAS Registry Number: 61786-00-3
Synonyms: Ethyl 2-(4-chlorophenyl)thiazole-4-carboxylate, ethyl 2-(4-chlorophenyl)-1,3-thiazole-4-carboxylate, 2-(4-CHLORO-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, ZINC00091312, AC1ME2FL, Bionet2_000328, SureCN8345149, CTK5B3709, MolPort-002-856-317, HMS1364O20, BTB06026, ANW-74208, CCG-50097, AKOS005069595, AB03811, AG-G-25465, MCULE-2485073001, RP06439, RP21638, AK-79238

Molecular Formula: C12H10ClNO2SMolecular Weight: 267.731300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: XNLWONXVKLZJMC-UHFFFAOYSA-N

• Ethyl 2-(Chlorosulfonyl)-4-Methyl-1,3-Thiazole-5-Carboxylate, 97
IUPAC Name: ethyl 2-chlorosulfonyl-4-methyl-1,3-thiazole-5-carboxylate | CAS Registry Number: 89694-92-8
Synonyms: ethyl 2-(chlorosulfonyl)-4-methyl-1,3-thiazole-5-carboxylate, 2-CHLOROSULFONYL-4-METHYL-THIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER, AC1MCWGD, CTK5G3400, MolPort-001-764-654, Ethyl 2-chlorosulfonyl-4-methyl-1,3-thiazole-5-carboxylate, AKOS015838814, AG-H-62799, KB-111920, KB-252252, KB-252253, FT-0625877, I04-4056, ethyl 2-(chlorosulphonyl)-4-methyl-1,3-thiazole-5-carboxylate, ETHYL2-(CHLOROSULFONYL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE

Molecular Formula: C7H8ClNO4S2Molecular Weight: 269.725720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: CHGYKFWENBEGJU-UHFFFAOYSA-N

• Ethyl 2-[2,4-Bis(Trifluoromethyl)Phenyl]-2-Oxoacetate
IUPAC Name: ethyl 2-[2,4-bis(trifluoromethyl)phenyl]-2-oxoacetate | CAS Registry Number: 306936-81-2
Synonyms: ethyl 2-[2,4-bis(trifluoromethyl)phenyl]-2-oxoacetate, SBB053746, Ethyl 2-(2,4-bis(trifluoromethyl)phenyl)-2-oxoacetate, ZINC02387811, AC1MD1D5, CTK4G5705, MolPort-001-775-156, ANW-54897, AKOS015996662, AG-F-01456, AK-91773, KB-84623, FT-0625906, Ethyl 2,4-bis(trifluoromethyl)benzoyl formate, Ethyl 2,4-bis(trifluoromethyl)phenylglyoxylate, Ethyl [2,4-bis(trifluoromethyl)phenyl](oxo)acetate, (2,4-Bis-trifluoromethyl-phenyl)-oxo-acetic acid ethyl ester, Benzeneacetic acid, a-oxo-2,4-bis(trifluoromethyl)-,ethyl ester, ETHYL 2-[2,4-BIS(TRIFLUOROMETHYL)PHENYL]-2-OXOACETATE;ETHYL 2-[2,4-BIS(TRIFLUOROMETHYL)PHENYL]-2-OXOACETATE: TECH.;Ethyl [2,4-Bis(trifluoromethyl)phenyl](oxo)acetate

Molecular Formula: C12H8F6O3Molecular Weight: 314.180539 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 9

InChIKey: JVYSHMWTBQPDAB-UHFFFAOYSA-N

• Ethyl 2-amino-4-(trifluoromethyl)-5-thiazolecarboxylate
IUPAC Name: ethyl 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate | CAS Registry Number: 344-72-9
Synonyms: Maybridge3_003032, NSC4465, NSC 4465, AIDS073076, AIDS-073076, BRN 4810691, SBB005528, ZINC01036886, WLN: T5N CSJ BZ DMVO2 EXFFF, AI3-18593, IDI1_014419, LS-150861, 5-Thiazolecarboxylic acid, 2-amino-4-(trifluoromethyl)-, ethyl ester, 2-Amino-4-(trifluoromethyl)-5-thiazolecarboxylic acid ethyl ester, ethyl 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate, 5-Thiazolecarboxylic acid,2-amino-4-(trifluoromethyl)-, ethyl ester

Molecular Formula: C7H7F3N2O2SMolecular Weight: 240.202890 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: XJRPTMORGOIMMI-UHFFFAOYSA-N

• Ethyl 2-Amino-4-Ethyl-5-Methylthiophene-3-Carboxylate
IUPAC Name: ethyl 2-amino-4-ethyl-5-methylthiophene-3-carboxylate | CAS Registry Number: 82546-91-6
Synonyms: CBMicro_017943, ZINC00035858, BB_SC-3844, ALBB-001582, CID673708, STK317645, BIM-0018103.P001, ethyl 2-amino-4-ethyl-5-methylthiophene-3-carboxylate, AK-968/41028119, ethyl 2-amino-4-ethyl-5-methyl-3-thiophenecarboxylate

Molecular Formula: C10H15NO2SMolecular Weight: 213.296600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZLQVIZSBIABXJQ-UHFFFAOYSA-N

• Ethyl 2-amino-4-methylthiazole-5-carboxylate
IUPAC Name: ethyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate | CAS Registry Number: 7210-76-6
Synonyms: Maybridge1_006207, Oprea1_412981, Oprea1_686518, CBDivE_011946, 646016_ALDRICH, ZERO/001976, AIDS019677, AIDS-019677, ALBB-000267, NSC400231, ZINC00035844, 2-Amino-4-methyl-5-carbethoxythiazole, 2-Amino-4-methyl-5-(ethoxycarbonyl)thiazole, EU-0004739, TL80073557, 5-Thiazolecarboxylic acid, 2-amino-4-methyl-, ethyl ester, Ethyl 2-amino-4-methyl-1,3-thiazole-5-carboxylate, SR-01000431778-2, 2-Amino-4-methyl-5-thiazolecarboxylic acid, ethyl ester

Molecular Formula: C7H10N2O2SMolecular Weight: 186.231500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WZHUPCREDVWLKC-UHFFFAOYSA-N

• Ethyl 2-aminothiazole-5-carboxylate
IUPAC Name: ethyl 2-amino-1,3-thiazole-5-carboxylate | CAS Registry Number: 32955-21-8
Synonyms: Oprea1_514496, NSC233051, CID314628, ZINC01509680, E2641G1, ethyl 2-amino-1,3-thiazole-5-carboxylate, TL8002486, 2Z-0725

Molecular Formula: C6H8N2O2SMolecular Weight: 172.204920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VNZXERIGKZNEKB-UHFFFAOYSA-N

• Ethyl 2-Bromo-4-Trifluoromethylthiazole-5-Carboxylate
IUPAC Name: ethyl 2-bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate | CAS Registry Number: 72850-79-4
Synonyms: Ethyl 2-Bromo-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate, ethyl 2-bromo-4-trifluoromethylthiazole-5-carboxylate, AG-G-87296, Ethyl 2-bromo-4-(trifluoromethyl)thiazole-5-carboxylate, ethyl 2-bromo-4-trifluoromethyl-1,3-thiazole-5-carboxylate, 2-bromo-4-(trifluoromethyl)thiazole-5-carboxylic acid ethyl ester, AGN-PC-00LUPX, SureCN299362, CTK5D6955, MolPort-001-776-914, ANW-72511, ZINC15443619, AKOS005072668, AB43576, AC-7165, AG-B-21334, AG-E-69747, MCULE-4559218336, QC-6267, RP16167

Molecular Formula: C7H5BrF3NO2SMolecular Weight: 304.084310 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: XPAISTXWPBHIMZ-UHFFFAOYSA-N

• Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
IUPAC Name: ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate | CAS Registry Number: 187035-79-6
Synonyms: SBB053947, AG-E-36126, ethyl 2-chloro-4-(trifluoromethyl)pyrimidne-5-carboxylate, ethyl 2-chloro-4-trifluoromethyl-5-pyrimidine carboxylate, ZINC02243756, PubChem11399, AC1MCXM9, KSC496M7T, AC1Q34B9, CTK3J6679, MolPort-000-155-203, ACT03749, ANW-72758, AKOS005064004, AB08490, ACN-000279, AK-27796, EN000059, HC210121, KB-83344

Molecular Formula: C8H6ClF3N2O2Molecular Weight: 254.593650 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: UDDSDBJYAMHCCW-UHFFFAOYSA-N

• Ethyl 2-Chloropyrimidine-5-Carboxylate
IUPAC Name: ethyl 2-chloropyrimidine-5-carboxylate | CAS Registry Number: 89793-12-4
Synonyms: Ethyl 2-chloropyrimidine-5-carboxylate, 2-Chloro-pyrimidine-5-carboxylic acid ethyl ester, Ethyl2-chloropyrimidine-5-carboxylate, 2-Chloro-5-(ethoxycarbonyl)pyrimidine, AG-H-63037, ACMC-209r2w, KSC663I8R, CTK5G3488, MolPort-003-990-588, ACT10943, ANW-39366, SBB090495, AKOS006283037, ethyl-2-chloropyrimidine-5-carboxylate, AB53770, RP24674, RP24677, AK-32391, BR-32391, ethyl 2-chloranylpyrimidine-5-carboxylate

Molecular Formula: C7H7ClN2O2Molecular Weight: 186.595680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: IEMKQRSOAOPKRJ-UHFFFAOYSA-N

• Ethyl 2-Cyano-3-Phenylcrotonate
IUPAC Name: ethyl (Z)-2-cyano-3-phenylbut-2-enoate | CAS Registry Number: 18300-89-5
Synonyms: NSC 408236, 2-Cyano-3-phenylcrotonic acid ethyl ester, CID688203, ZINC12412129, AI3-04925, LS-55560, 2-Butenoic acid, 2-cyano-3-phenyl-, ethyl ester, alpha-Cyano-beta-phenyl-methacrylic acid, ethyl ester, CROTONIC ACID, 2-CYANO-3-PHENYL-, ETHYL ESTER

Molecular Formula: C13H13NO2Molecular Weight: 215.247820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: AJDOTEWSLNGINB-BENRWUELSA-N

• ethyl 2-mercapto-1H-imidazole-4-carboxylate
IUPAC Name: ethyl 2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate | CAS Registry Number: 64038-64-8
Synonyms: Maybridge1_005066, USAF EL-63, 2-Mercapto-5-carbethoxyimidazole, Imidazole, 2-mercapto-5-carbethoxy-, Imidazole-2-thiol, 5-ethoxycarbonyl-, ZINC00149990, ZINC04243066, KM 06163, LS-78919, SR-01000639950-1

Molecular Formula: C6H8N2O2SMolecular Weight: 172.204920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: PONOGPICUOALRU-UHFFFAOYSA-N

• Ethyl 2-Phenylpropionate
IUPAC Name: ethyl 2-phenylpropanoate | CAS Registry Number: 2510-99-8
Synonyms: Ethyl hydratropate, Ethyl hydrotropate, Ethyl 2-phenylpropanoate, Ethyl 2-phenylpropionate, Hydratropic acid, ethyl ester, CHEBI:373687, CID99643, 2-Phenyl-propionic acid ethyl ester, EINECS 219-727-1, NSC254979, OR0476, NSC 254979, Benzeneacetic acid, alpha-methyl-, ethyl ester, Benzeneacetic acid, .alpha.-methyl-, ethyl ester, 113085-12-4

Molecular Formula: C11H14O2Molecular Weight: 178.227660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UTUVIKZNQWNGIM-UHFFFAOYSA-N

• Ethyl 3-[5-(chlorosulfonyl)-2-thienyl]-1,2,4-oxadiazole-5-carboxylate
IUPAC Name: ethyl 3-(5-chlorosulfonylthiophen-2-yl)-1,2,4-oxadiazole-5-carboxylate | CAS Registry Number: 388088-70-8
Synonyms: AC1MCW41, CTK6F7844, MolPort-000-144-931, Ethyl 3-(5-chlorosulfonylthiophen-2-yl)-1,2,4-oxadiazole-5-carboxylate, AG-C-10866, MO00134, KB-111900, FT-0626015, I14-107201, ethyl 3-[5-(chlorosulfonyl)thiophen-2-yl]-1,2,4-oxadiazole-5-carboxylate, ethyl 3-[5-(chlorosulphonyl)-2-thienyl]-1,2,4-oxadiazole-5-carboxylate, 3-(5-Chlorosulfonyl-thiophen-2-yl)-[1,2,4]oxadiazole-5-carboxylic acid ethyl ester, ETHYL 3-[5-(CHLOROSULFONYL)THIEN-2-YL]-1,2,4-OXADIAZOLE-5-CARBOXYLATE

Molecular Formula: C9H7ClN2O5S2Molecular Weight: 322.745280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: IDEJMYVAFDHGJU-UHFFFAOYSA-N

• Ethyl 3-Cyano-2-Hydroxy-6-Methylisonicotinate
IUPAC Name: ethyl 3-cyano-6-methyl-2-oxo-1H-pyridine-4-carboxylate | CAS Registry Number: 18619-97-1
Synonyms: Maybridge1_006054, MLS000737828, NSC17505, CID226755, ZINC08612720, SMR000528179, LT00006780, SR-01000636859-1

Molecular Formula: C10H10N2O3Molecular Weight: 206.198000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RJJRKBMJIICKDK-UHFFFAOYSA-N

• Ethyl 3-cyano-2-mercapto-6-methylisonicotinate
IUPAC Name: 3-cyano-4-ethoxycarbonyl-6-methylpyridine-2-thiolate | CAS Registry Number: 56891-69-1
Synonyms: ZINC00075552, CID6923015

Molecular Formula: C10H9N2O2S-Molecular Weight: 221.255660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: WBMMFDGNOQLZNF-UHFFFAOYSA-M

• Ethyl-2-(2-Aminothiazole-4-Yl) Acetate
IUPAC Name: ethyl 2-(2-amino-1,3-thiazol-4-yl)acetate | CAS Registry Number: 53266-94-7
Synonyms: Maybridge3_006161, Oprea1_589016, Ethyl 2-aminothiazole-4-acetate, MLS000521344, 220558_ALDRICH, Ethyl 2-aminothiazol-4-acetate, 09486_FLUKA, Ethyl 2-amino-4-thiazoleacetate, ZINC00035856, ALBB-001556, EINECS 258-452-1, CID104454, SBB000258, Ethyl (2-amino-1,3-thiazol-4-yl)acetate, IDI1_017548, SMR000131752, EU-0066637, AB-601/30963022, SR-01000597199-2

Molecular Formula: C7H10N2O2SMolecular Weight: 186.231500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: SHQNGLYXRFCPGZ-UHFFFAOYSA-N

• Imidazole
IUPAC Name: 1H-imidazole | CAS Registry Number: 288-32-4
Synonyms: imidazole, Glyoxaline, 1H-Imidazole, Iminazole, Imidazol, Miazole, Glyoxalin, Imutex, 1,3-Diazole, Pyrro(b)monazole, Pyrro[b]monazole, Glioksal [Polish], Imidazole solution, Glyoxaline solution, Imidazole (8CI), 1,3-Diaza-2,4-cyclopentadiene, IMIDAZOLE-RING, Formamidine, N,N'-vinylene-, USAF EK-4733, 1H-Imidazole (9CI)

Molecular Formula: C3H4N2Molecular Weight: 68.077260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RAXXELZNTBOGNW-UHFFFAOYSA-N

• Indole Compounds
• Isonicotinyl Hydrazide (INH)
IUPAC Name: pyridine-4-carbohydrazide | CAS Registry Number: 54-85-3
Synonyms: isoniazid, Nicotibina, Andrazide, Cotinazin, Dinacrin, Hydrazid, Laniazid, Neoteben, Nicizina, Nicozide, Nydrazid, Pycazide, Ditubin, Iscotin, Isonicotinohydrazide, Mybasan, Niconyl, Rimifon, Isolyn, Isonex

Molecular Formula: C6H7N3OMolecular Weight: 137.139280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: QRXWMOHMRWLFEY-UHFFFAOYSA-N

• Isothiazole
IUPAC Name: 1,2-thiazole | CAS Registry Number: 288-16-4
Synonyms: 1,2-thiazole, CHEBI:35600, ZERO/004696, CID67515, ZINC01847600, FS000701, InChI=1/C3H3NS/c1-2-4-5-3-1/h1-3

Molecular Formula: C3H3NSMolecular Weight: 85.127620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZLTPDFXIESTBQG-UHFFFAOYSA-N

• Methyl 1-benzylazetidine-2-carboxylate
IUPAC Name: methyl 1-benzylazetidine-2-carboxylate | CAS Registry Number: 18085-37-5
Synonyms: AC1N9GM6, SureCN2768950, Jsp003711, CTK4D7725, MolPort-000-929-105, ACN-S002871, AB1510, ANW-57636, SBB093503, AKOS004115371, methyl 1-benzyl-2-azetidinecarboxylate, AC-2631, AG-E-30947, Methyl-1-benzylazetidine-2-carboxylate, PB14455, RP04534, AK-59489, AM808144, KB-53618, AB1001342

Molecular Formula: C12H15NO2Molecular Weight: 205.253000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: CTFFWKWHYDAMKP-UHFFFAOYSA-N

• Methyl 1-methyl-2-mercapto-1H-imidazole-5-carboxylate
IUPAC Name: methyl 3-methyl-2-sulfanylidene-1H-imidazole-4-carboxylate | CAS Registry Number: 68892-07-9
Synonyms: Maybridge4_002452, NSC313360, EINECS 272-595-7, ZINC00149793, CID2821214, 4H-021, 2-Mercapto-1-methylimidazole-5-carboxylic acid methyl ester, 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-3-methyl-2-thioxo-, methyl ester, Methyl 2,3-dihydro-3-methyl-2-thioxo-1H-imidazole-4-carboxylate

Molecular Formula: C6H8N2O2SMolecular Weight: 172.204920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MXRBCICJILKUCS-UHFFFAOYSA-N

• Methyl 2-(Chlorosulfonyl)Benzoate
IUPAC Name: methyl 2-chlorosulfonylbenzoate | CAS Registry Number: 26638-43-7
Synonyms: Methyl 2-(chlorosulfonyl)benzoate, CID117830, FS000807, SB 00929, 2-chlorosulfonyl-benzoic acid methyl ester, Benzoic acid, 2-(chlorosulfonyl)-, methyl ester

Molecular Formula: C8H7ClO4SMolecular Weight: 234.656780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: HUNUAFNLLYVTQD-UHFFFAOYSA-N

• Methyl 2-Cyano-3,3-Di(methylthio)acrylate
IUPAC Name: methyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate | CAS Registry Number: 3490-92-4
Synonyms: NSC266105, CID319957, ZINC00132048, SR-01000633617-1

Molecular Formula: C7H9NO2S2Molecular Weight: 203.281860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SJDBEROAEMAOJW-UHFFFAOYSA-N

• Methyl 3-(chlorosulfonyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate
IUPAC Name: methyl 3-chlorosulfonyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate | CAS Registry Number: 306935-98-8
Synonyms: methyl 3-(chlorosulfonyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate, AC1MCTW1, CTK4G5676, MolPort-000-146-376, SEW03400, AKOS016016455, Methyl 3-chlorosulfonyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate, AG-F-01397, QC-6104, KB-78567, FT-0628489, A820535, I14-58168, 2-(Methoxycarbonyl)-4-phenyl-5-(trifluoromethyl)thiophene-3-sulphonyl chloride, 2-Thiophenecarboxylicacid, 3-(chlorosulfonyl)-4-phenyl-5-(trifluoromethyl)-, methyl ester, 3-chlorosulfonyl-4-phenyl-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl ester, Methyl 3-(chlorosulphonyl)-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate, methyl 3-chloranylsulfonyl-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxylate, BUTTPARK 27\\06-39;METHYL 3-(CHLOROSULFONYL)-4-PHENYL-5-(TRIFLUOROMETHYL)THIOPHENE-2-CARBOXYLATE;METHYL 3-(CHLOROSULPHONYL)-4-PHENYL-5-(TRIFLUOROMETHYL)THIOPHENE-2-CARBOXYLATE

Molecular Formula: C13H8ClF3O4S2Molecular Weight: 384.778430 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: QTEYQFWTRAYGTC-UHFFFAOYSA-N

• Methyl 3-bromo-1h-indole-2-carboxylate
IUPAC Name: methyl 3-bromo-1H-indole-2-carboxylate | CAS Registry Number: 220664-31-3
Synonyms: methyl 3-bromo-1H-indole-2-carboxylate, SBB054065, AG-E-61243, 3-Bromo-1H-indole-2-carboxylic acid methyl ester, methyl 3-bromoindole-2-carboxylate, ZINC00170128, AC1MC9MH, methylbromoindolecarboxylate, SureCN3879382, CTK4E8458, MolPort-003-355-459, ANW-46042, AKOS005071162, MCULE-7620383988, Methyl3-bromo-1H-indole-2-carboxylate, RP14420, AK-82584, EN000578, AB1000718, KB-114350

Molecular Formula: C10H8BrNO2Molecular Weight: 254.080020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FSLMMQAVWOFUOM-UHFFFAOYSA-N

• Methyl 3-hydroxy-2-thiophenecarboxylate
IUPAC Name: 2-[hydroxy(methoxy)methylidene]thiophen-3-one | CAS Registry Number: 5118-06-9
Synonyms: ZINC00105318, CID6740085

Molecular Formula: C6H6O3SMolecular Weight: 158.175040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FYOPNADYSPZUAT-UHFFFAOYSA-N

• Methyl 5-Iodo-2-Oxo-1,2-Dihydro-3-Pyridinecarboxylate
IUPAC Name: methyl 5-iodo-2-oxo-1H-pyridine-3-carboxylate | CAS Registry Number: 116387-40-7
Synonyms: ZINC03884431, CID2764465, 8Y-0707

Molecular Formula: C7H6INO3Molecular Weight: 279.031910 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: LGUKGFMYVHZDEB-UHFFFAOYSA-N

• Methyl 5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxylate
IUPAC Name: methyl 5-oxo-1-(phenylmethyl)pyrrolidine-3-carboxylate | CAS Registry Number: 51535-00-3
Synonyms: Bionet2_000906, MLS000712553, 183679_ALDRICH, EINECS 257-257-9, NSC176916, BAS 00531489, SMR000282320, Methyl 1-benzyl-5-oxo-3-pyrrolidinecarboxylate, ST5233537, EU-0071542, Methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate, 1-Benzyl-5-oxo-pyrrolidine-3-carboxylic acid methyl ester, 3-Pyrrolidinecarboxylic acid, 5-oxo-1-(phenylmethyl)-, methyl ester

Molecular Formula: C13H15NO3Molecular Weight: 233.263100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WTRWSSDZHQOPJI-UHFFFAOYSA-N

• N'-Hydroxy-2-(trifluoromethoxy)benzenecarboximidamide
IUPAC Name: N'-hydroxy-2-(trifluoromethoxy)benzenecarboximidamide | CAS Registry Number: 63968-84-3
Synonyms: 2-(TRIFLUOROMETHOXY)BENZAMIDOXIME, N'-hydroxy-2-(trifluoromethoxy)benzenecarboximidamide, AC1MDRPT, CTK5C0320, AG-G-38916, KB-124323

Molecular Formula: C8H7F3N2O2Molecular Weight: 220.148590 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: KGHGHEPVWUOJAZ-UHFFFAOYSA-N

• N-(2-Carboxyphenyl)Glycine
IUPAC Name: 2-(carboxymethylamino)benzoic acid | CAS Registry Number: 612-42-0
Synonyms: Phenylglycine-o-carboxylic acid, N-(2-Carboxyphenyl)glycine, N-(Carboxymethyl)anthranilic acid, Glycine, N-(o-carboxyphenyl)-, Oprea1_043997, Oprea1_087556, CBDivE_014055, MLS000680124, 367745_ALDRICH, IFLab1_000341, N-Phenylglycine-o-carboxylic acid, CHEBI:140461, CID69161, NSC80600, EINECS 210-311-5, NSC 80600, 2-(Carboxymethyl-amino)-benzoic acid, Anthranilic acid, N-(carboxymethyl)-, FR-0926, IDI1_008560

Molecular Formula: C9H9NO4Molecular Weight: 195.172060 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: PJUXPMVQAZLJEX-UHFFFAOYSA-N

• Oxazole
IUPAC Name: 1,3-oxazole | CAS Registry Number: 288-42-6
Synonyms: OXAZOLE, 1,3-Oxazole, 230138_ALDRICH, CHEBI:35597, CID9255, EINECS 206-020-8, ZINC02022896, AA-511/25015522, InChI=1/C3H3NO/c1-2-5-3-4-1/h1-3

Molecular Formula: C3H3NOMolecular Weight: 69.062020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZCQWOFVYLHDMMC-UHFFFAOYSA-N

• Phenyl [5-(trifluoromethyl)pyridin-2-yl]carbamate
IUPAC Name: phenyl N-[5-(trifluoromethyl)pyridin-2-yl]carbamate | CAS Registry Number: 95651-19-7
Synonyms: SureCN60181, AGN-PC-008VAO, CTK5H7920, ZINC21301119, AG-H-93307, KB-122107, TL8005991, (5-Trifluoromethylpyridin-2-yl)carbamic acid phenyl ester, PHENYL [5-(TRIFLUOROMETHYL)(PYRIDIN-2-YL)]CARBAMATE, Carbamic acid, [5-(trifluoromethyl)-2-pyridinyl]-, phenyl ester

Molecular Formula: C13H9F3N2O2Molecular Weight: 282.217970 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: ZTAZLDHQURMTRV-UHFFFAOYSA-N


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