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a,a-Dimethylbenzyl mercaptan 16325-88-5
Compound Structure IUPAC Name: 2-phenylpropane-2-thiol | CAS Registry Number: 16325-88-5
Synonyms: alpha,alpha-Dimethylbenzyl mercaptan, lmDimethylbenzyl mercaptan, |A,|A-Dimethylbenzyl mercaptan, 2-phenylpropane-2-thiol, PubChem6849, 2-phenyl-2-propanethiol, CTK4D1479, Benzenemethanethiol, a,a-dimethyl-, ZINC21986357, AKOS006289235, AG-E-13110, RP21653, FT-0654482, A810459, I09-0974, a,a-Dimethyl-a-toluenethiol;2-Propanethiol,2-phenyl- (8CI);2-Phenyl-2-propanethiol;

Molecular Formula: C9H12SMolecular Weight: 152.256580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WBDRVMIJNFZLMN-UHFFFAOYSA-N

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#2 Diesel Fuel (Extra Low Sulfur) 68476-43-6
Alfa Chemistry, LEAP CHEM Co., Ltd., SAGECHEM LIMITED

#N/A 12840-49-8
Shanghai T&W Pharmaceutical Co., Ltd.

#NAME? 107835-88-1
Compound Structure IUPAC Name: 3-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one | CAS Registry Number: 107835-88-1
Synonyms: 3-benzyl-5-(hydroxymethyl)-1,3-oxazolidin-2-one, 3-Benzyl-5-(hydroxymethyl)oxazolidin-2-one, -2-one, Maybridge3_000763, Oprea1_774910, MLS001181639, SCHEMBL8948258, CHEMBL1903715, QNLZNBYVKXPUFF-UHFFFAOYSA-N, DTXSID801333498, HMS1433C15, HMS2861E17, 3-benzyl-5-hydroxymethyl-oxazolidin, AKOS015967587, CCG-242602, IDI1_012150, 3-benzyl-5-hydroxymethyl-2-oxazolidinone, SMR000567286, 3-Benzyl-5-hydroxymethyl-oxazolidin-2-one

Molecular Formula: C11H13NO3Molecular Weight: 207.230 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QNLZNBYVKXPUFF-UHFFFAOYSA-N

Advanced Technology & Industrial Co., Ltd.

#NAME? 332077-58-4
Advanced Technology & Industrial Co., Ltd., Skyrun Industrial Co., Ltd.

#NAME? 372096-70-3
Advanced Technology & Industrial Co., Ltd.

$L^{1}-SELANE, $L^{2}-STIBANE 58428-34-5
Compound Structure IUPAC Name: $l^{1}-selane;$l^{2}-stibane | CAS Registry Number: 58428-34-5
Synonyms: Antimony monoselenide

Molecular Formula: H3SbSeMolecular Weight: 203.743820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: WKJCCNXLLOBOMT-UHFFFAOYSA-N

Suzhou Health Chemicals Co., Ltd.

$l^{2}-germane 61349-37-9


「2,4-Dichloro-6-(methylthio)pyrimidin-5-amine 55401-59-7


α,β-DIPHTHALIMIDOETHANE 607-26-1
Compound Structure IUPAC Name: 2-[2-(1,3-dioxoisoindol-2-yl)ethyl]isoindole-1,3-dione | CAS Registry Number: 607-26-1
Synonyms: N,N'-Ethylenediphthalimide, STK280628, 2-[2-(1,3-dioxoisoindol-2-yl)ethyl]isoindole-1,3-dione, NSC2747, AC1Q6FOG, AC1Q6K2X, SureCN6699936, Oprea1_367618, Oprea1_695011, AC1L58J9, CTK2F7277, alpha,beta-DIPHTHALIMIDOETHANE, MolPort-001-785-580, HMS1674G13, NSC-2747, AR-1K2714, ZINC00175473, AKOS000344271, AG-J-90480, MCULE-4630226148

Molecular Formula: C18H12N2O4Molecular Weight: 320.298880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: MSNBDDJGCNYFNM-UHFFFAOYSA-N

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α-(p-CHLOROPHENYLTHIO)ACETAMIDE 30893-65-3
Compound Structure IUPAC Name: 2-(4-chlorophenyl)sulfanylacetamide | CAS Registry Number: 30893-65-3
Synonyms: 2-[(4-chlorophenyl)sulfanyl]acetamide, NSC50720, AC1Q3OOM, ChemDiv2_003078, SureCN1395735, AC1L694Z, CTK4G6114, MolPort-003-914-567, HMS1377L20, 2-(4-chlorophenyl)sulfanylacetamide, AR-1D5864, NSC-50720, NSC525196, STL286553, ZINC00259705, Acetamide,2-[(4-chlorophenyl)thio]-, AKOS002131226, AG-K-88311, CCG-200186, MCULE-2104652415

Molecular Formula: C8H8ClNOSMolecular Weight: 201.673220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YHZANKPQPBORBP-UHFFFAOYSA-N

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α-ACETAMINOCINNAMIC LACTONE 99972-56-2
Compound Structure IUPAC Name: N-(2-oxochromen-5-yl)acetamide | CAS Registry Number: 99972-56-2
Synonyms: N-(2-oxochromen-5-yl)acetamide, alpha-ACETAMINOCINNAMIC LACTONE

Molecular Formula: C11H9NO3Molecular Weight: 203.194060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GAMDILRHUYVYBG-UHFFFAOYSA-N

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α-BENZOYL-o-METHOXY ACETANILIDE 92-16-0
Compound Structure IUPAC Name: N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide | CAS Registry Number: 92-16-0
Synonyms: N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide, 2-Benzoyl-2'-methoxyacetanilide, Benzoylacet-o-anisidide, BRN 2742898, o-ACETANISIDIDE, BENZOYL-, EINECS 202-132-6, N-(2-Methoxyphenyl)-beta-oxobenzenepropanamide, benzenepropanamide, n-(2-methoxyphenyl)-|A-oxo-, AF-628/30935027, Benzenepropanamide, N-(2-methoxyphenyl)-beta-oxo-, AC1L1NYJ, Oprea1_238148, MLS001198317, AC1Q45R9, AC1Q5F21, MolPort-000-924-023, HMS2856G18, ZERO/001286, AR-1H8673, SBB001636

Molecular Formula: C16H15NO3Molecular Weight: 269.295200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FTYSHTGKLFLKRX-UHFFFAOYSA-N

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α-BENZYLIDENE-γ-BUTYROLACTONE 6285-99-0
Compound Structure IUPAC Name: (3Z)-3-benzylideneoxolan-2-one | CAS Registry Number: 6285-99-0
Synonyms: (3e)-3-benzylidenedihydrofuran-2(3h)-one, 3-benzylidenedihydrofuran-2(3h)-one, STK725125, AC1LJ0EF, AC1Q6MPT, AC1Q69YF, (3Z)-3-benzylideneoxolan-2-one, MolPort-003-909-674, 3-(phenylmethylidene)oxolan-2-one, KST-1A6762, AR-1A4168, AR-1F2127, ZINC00500031, AKOS004120930, (3Z)-3-benzylidene-tetrahydro-furan-2-one, (3Z)-3-benzylidenedihydrofuran-2(3H)-one, I14-24326

Molecular Formula: C11H10O2Molecular Weight: 174.195900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: TWDMVZSYTMJVEK-NTMALXAHSA-N

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α-DIMETHYLAMINOPROPIONITRILE 5350-67-4
Compound Structure IUPAC Name: 2-(dimethylamino)propanenitrile | CAS Registry Number: 5350-67-4
Synonyms: 2-(dimethylamino)propanenitrile, NSC53, ACMC-20al67, AC1Q4QS6, KSC176S1J, AC1L564S, NSC-53, CTK0H6914, GQJKKKULUSFWSC-UHFFFAOYSA-, MolPort-003-755-157, alpha-DIMETHYLAMINOPROPIONITRILE, AR-1C9148, 2-(DIMETHYLAMINO)PROPIONITRILE, AKOS008953691, AG-K-65788, A832564, InChI=1/C5H10N2/c1-5(4-6)7(2)3/h5H,1-3H3

Molecular Formula: C5H10N2Molecular Weight: 98.146300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GQJKKKULUSFWSC-UHFFFAOYSA-N

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α-MONOFLUOROMETHYLHISTIDINE 70050-43-0
Compound Structure IUPAC Name: (2S)-2-amino-2-(fluoromethyl)-3-(1H-imidazol-5-yl)propanoic acid | CAS Registry Number: 70050-43-0
Synonyms: |A-(fluoromethyl)-l-histidine, AG-G-73382, AG-G-92436, 73804-75-8, a-Fluoromethylhistidine, SureCN60507, AC1L4M8T, AC1Q5QY8, Histidine, a-(fluoromethyl)-, (2S)-2-AMINO-2-(FLUOROMETHYL)-3-(3H-IMIDAZOL-4-YL)PROPANOIC ACID, CTK5D1744, CTK5D8717, AR-1L8484, L-Histidine, a-(fluoromethyl)- (9CI), (S)-a-Fluoromethylhistidine; a-(Fluoromethyl)-L-histidine, (2S)-2-amino-2-(fluoromethyl)-3-(1H-imidazol-5-yl)propanoic acid

Molecular Formula: C7H10FN3O2Molecular Weight: 187.171603 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: AJFGLTPLWPTALJ-SSDOTTSWSA-N

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β,β'-Bis(carboxymethyl-mercapto)diethyl ether 4408-66-6
Compound Structure IUPAC Name: 2-[2-[2-(carboxymethylsulfanyl)ethoxy]ethylsulfanyl]acetic acid | CAS Registry Number: 4408-66-6
Synonyms: NSC60159, 2,2'-[oxybis(ethane-2,1-diylsulfanediyl)]diacetic acid, 2-[2-[2-(carboxymethylsulfanyl)ethoxy]ethylsulfanyl]acetic acid, AC1L6IPQ, AC1Q5WVN, AC1Q76GZ, CTK1D7464, AR-1D0993, NSC-60159, AG-K-84603, 2-(CARBOXYMETHYLTHIO)-ETHYL ETHER, Acetic acid, 2,2'-[oxybis(2,1-ethanediylthio)]bis-, beta,beta'-BIS(CARBOXYMETHYL-MERCAPTO)DIETHYL ETHER, [(2-{2-[(carboxymethyl)sulfanyl]ethoxy}ethyl)sulfanyl]acetic acid

Molecular Formula: C8H14O5S2Molecular Weight: 254.323760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: FOAZYQMVLNFBKU-UHFFFAOYSA-N

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β-(3,4-Epoxycyclohexyl)-ethyltrimethoxysilane 155684-30-3
Compound Structure IUPAC Name: trimethoxy-[2-(7-oxabicyclo[4.1.0]heptan-4-yl)ethyl]silane | CAS Registry Number: 155684-30-3
Synonyms: Silicone A-186, 2-(3,4-Epoxycyclohexyl)ethyltrimethoxysilane, Silane A 186, Union carbide A-186, 3388-04-3, Silane Y-4086, A 186 (heterocycle), NUCA 186, Silquest A 186, KBM 303, Sila-Ace S 530, UC-A 186, A 186 (coupling agent), CCRIS 3047, Silane, trimethoxy[2-(7-oxabicyclo[4.1.0]hept-3-yl)ethyl]-, Y 4086, .beta.-(3,4 Epoxycyclohexyl)ethyltrimethoxysilane, A 186 (VAN), EINECS 222-217-1, Epoxycyclohexylethyl trimethoxy silane

Molecular Formula: C11H22O4SiMolecular Weight: 246.375480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: DQZNLOXENNXVAD-UHFFFAOYSA-N

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β-[(Acetyloxy)methyl]-3-methoxy-benzenebutanenitrile 1391054-58-2
Compound Structure IUPAC Name: [2-(cyanomethyl)-3-(3-methoxyphenyl)propyl] acetate | CAS Registry Number: 1391054-58-2
Synonyms: n-Butyl acetate, 99+%, Extra Dry, AcroSeal?

Molecular Formula: C14H17NO3Molecular Weight: 247.290 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: KZXGRAUCLFBPNH-UHFFFAOYSA-N

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β-Alanyl-DL-phenylalanine 19771-40-5
Compound Structure IUPAC Name: 2-(3-aminopropanoylamino)-3-phenylpropanoic acid | CAS Registry Number: 19771-40-5
Synonyms: beta-Ala-Phe, NSC523465, AC1L6Z4K, SureCN1330423, NCIOpen2_006042, A1416_SIGMA, 17136-28-6, BETA-ALANYL-DL-PHENYLALANINE, NSC92175, NSC-92175, AKOS010403664, NSC-523465, 2-(3-aminopropanamido)-3-phenylpropanoic acid, 2-(3-aminopropanoylamino)-3-phenylpropanoic acid

Molecular Formula: C12H16N2O3Molecular Weight: 236.267040 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: FLJLAJANCPPHDW-UHFFFAOYSA-N

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β-ASPARTYL HYDRAZIDE 5444-98-4
Compound Structure IUPAC Name: 2-amino-4-hydrazinyl-4-oxobutanoic acid | CAS Registry Number: 5444-98-4
Synonyms: 2-amino-3-hydrazinocarbonyl-propionic acid, 13010-39-4, NSC130683, ACMC-20n6hc, (2S)-2-amino-3-(hydrazinecarbonyl)propanoic acid, AC1Q5PUW, AC1L5QK2, beta-ASPARTYL HYDRAZIDE, CTK7D4105, NSC19427, AR-1D8256, NSC-19427, AKOS006273525, AG-A-35753, NSC-130683, 2-amino-4-hydrazinyl-4-oxobutanoic acid, 2-amino-3-(hydrazinecarbonyl)propanoic acid, (2S)-2-amino-4-hydrazinyl-4-oxobutanoic acid (non-preferred name)

Molecular Formula: C4H9N3O3Molecular Weight: 147.132560 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: YIEJWMCKVBZQLD-UHFFFAOYSA-N

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β-CYANOPROPIOGUANAMINE 4784-14-9
Compound Structure IUPAC Name: 3-(4,6-diamino-1,3,5-triazin-2-yl)propanenitrile | CAS Registry Number: 4784-14-9
Synonyms: NSC8164, b-CYANOPROPIOGUANAMINE, NCIOpen2_000210, SureCN11786372, AC1L2H86, NSC-8164, NSC63840, NSC-63840, 3-(diamino-1,3,5-triazin-2-yl)propanenitrile, 3-(4,6-diamino-1,3,5-triazin-2-yl)propanenitrile

Molecular Formula: C6H8N6Molecular Weight: 164.167920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: WKDLAFCZWQWJGY-UHFFFAOYSA-N

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β-D-Glucopyranoside,(3β,6α,16β,20R,24S)-3-[(3,4-di-O-acetyl-β-D-xylopyranosyl)oxy]-20, 24-epoxy-16,25-dihydroxy-9,19-cyclolanostan-6-yl 1324005-51-7
Compound Structure Synonyms: Neoastragaloside I, beta-D-Glucopyranoside,(3beta,6alpha,16beta,20R,24S)-3-[(3,4-di-O-acetyl-beta-D-xylopyranosyl)oxy]-20,24-epoxy-16,25-dihydroxy-9,19-cyclolanostan-6-yl

Molecular Formula: C45H72O16Molecular Weight: 869.055 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 16

InChIKey: LRWUZSAOXSUTCO-PUOIOBHHSA-N

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β-Iminodi(propionic-2,2,3,3-d4Acid) 1219803-81-2
Compound Structure IUPAC Name: 3-[(2-carboxy-1,1,2,2-tetradeuterioethyl)amino]-2,2,3,3-tetradeuteriopropanoic acid | CAS Registry Number: 1219803-81-2
Synonyms: TXPKUUXHNFRBPS-SVYQBANQSA-N, beta-iminodi(propionic-2,2,3,3-d4 acid)

Molecular Formula: C6H11NO4Molecular Weight: 169.206 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: TXPKUUXHNFRBPS-SVYQBANQSA-N

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β-Rubromycin 27267-70-5
Compound Structure IUPAC Name: methyl (2S)-8',10-dihydroxy-5',7'-dimethoxy-4',9,9'-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate | CAS Registry Number: 27267-70-5
Synonyms: beta-Rubromycin, CHEMBL2170857, AC1NUYXE, methyl (2S)-8',10-dihydroxy-5',7'-dimethoxy-4',9,9'-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate, Spiro(benzo(1,2-b:5,4-c')dipyran-2(3H),2'(3'H)-naphtho(1,2-b)furan)-7-carboxylic acid, 4,4',5',9-tetrahydro-6',10-dihydroxy-7',9'-dimethoxy-4',5',9-trioxo-, methyl ester, Spiro[benzo[1,2-b:5,4-c']dipyran-2(3H),2'(3'H)-naphtho[2,3-b]furan]-7-carboxylic acid, 4,4',9,9'-tetrahydro-8',10-dihydroxy-5',7'-dimethoxy-4',9,9'-trioxo-, methyl ester, (2S)-

Molecular Formula: C27H20O12Molecular Weight: 536.440500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 12

InChIKey: FXCBZGHGMRSWJD-MHZLTWQESA-N

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γ,γ-BIS(4-HYDROXY-3-NITROPHENYL)VALERIC ACID 14601-82-2
Compound Structure IUPAC Name: 4,4-bis(4-hydroxy-3-nitrophenyl)pentanoic acid | CAS Registry Number: 14601-82-2
Synonyms: 4,4-bis(4-hydroxy-3-nitrophenyl)pentanoic acid, AC1MYR2X, AC1Q1R04, MolPort-001-833-003, AKOS005100177, MCULE-4488481611, 7X-0843, gamma,gamma-BIS(4-HYDROXY-3-NITROPHENYL)VALERIC ACID

Molecular Formula: C17H16N2O8Molecular Weight: 376.317540 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: VGRYMKZWQBZCPX-UHFFFAOYSA-N

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γ-CHLORO-α,α-DIPHENYL-β-METHYLBUTYRONITRILE 133132-74-8
Compound Structure IUPAC Name: 4-chloro-3-methyl-2,2-diphenylbutanenitrile | CAS Registry Number: 133132-74-8
Synonyms: 4-chloro-3-methyl-2,2-diphenylbutanenitrile, NSC85872, NCIOpen2_004989, AC1L5X65, CTK6H6160, NSC-85872, AG-J-83517, GAMMA-CHLORO-ALPHA, ALPHA-DIPHENYL-BETA-METHYLBUTYRONITRILE

Molecular Formula: C17H16ClNMolecular Weight: 269.768640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PEHXKUSWSJTMRC-UHFFFAOYSA-N

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ε-Caprolactone-3,3,4,4,5,5-d6 1219802-08-0
Compound Structure IUPAC Name: 4,4,5,5,6,6-hexadeuteriooxepan-2-one | CAS Registry Number: 1219802-08-0
Synonyms: 6-hexanolactone-3,3,4,4,5,5-d6

Molecular Formula: C6H10O2Molecular Weight: 120.181 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PAPBSGBWRJIAAV-NMFSSPJFSA-N

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λ1-oxidanylethene 6912-06-7
Compound Structure IUPAC Name: $l^{1}-oxidanylethene | CAS Registry Number: 6912-06-7
Synonyms: Vinyloxy radical, formylmethyl, vinyloxy, ethenyloxidanyl, 2-oxoethyl, AC1L3DQM, CHEBI:46886, 26510-EP2272822A1, 26510-EP2277880A1, 26510-EP2280009A1, 26510-EP2284169A1, 26510-EP2287160A1, 26510-EP2287161A1, 26510-EP2287162A1, 26510-EP2292610A1, 26510-EP2298750A1, 26510-EP2302003A1, 26510-EP2305627A1, 26510-EP2305649A1, 26510-EP2314575A1

Molecular Formula: C2H3OMolecular Weight: 43.044620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FATAVLOOLIRUNA-UHFFFAOYSA-N

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Â-D-GLUCOPYRANOSIDE,(3Â,5Â,22R,25S)-26-(Â- D-GLUCOPYRANOSYLOXY)-22-HYDROXYFUROSTAN-3-YL O-6-DEOXY-R-L-MANNOPYRANOSYL-(1F2)-O- [Â-D-GLUCOPYRANOSYL-(1F4)]- 113834-22-3


Â-D-GLUCOPYRANOSIDE,(3Â,9Â,10R,11R,24R)-3,11,- 25-TRIHYDROXY-9-METHYL-19-NORLANOST-5-EN- 24-YL 88901-46-6
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α-(p-Aminophenyl)butyric Acid 29644-97-1
Compound Structure IUPAC Name: 2-(4-aminophenyl)butanoic acid | CAS Registry Number: 29644-97-1
Synonyms: 2-(p-Aminophenyl)butyric acid, NSC27530, OWH-BB-8812, NSC 27530, AIDS019033, AIDS025530, BUTYRIC ACID, 2-(p-AMINOPHENYL)-, AIDS-019033, AIDS-025530, CID34655, 1-alpha-(p-Aminophenyl)butyric acid, dl-alpha-(p-Aminophenyl)butyric acid, BBV-182064, LS-47833

Molecular Formula: C10H13NO2Molecular Weight: 179.215720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WAPLXGPARWRGJO-UHFFFAOYSA-N

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α-(p-Tolylsulfonyl)-A-(thien-3-Yl)methyl)isocyanide 263389-44-2
Compound Structure IUPAC Name: 3-[isocyano-(4-methylphenyl)sulfonylmethyl]thiophene | CAS Registry Number: 263389-44-2
Synonyms: SCHEMBL5760798, GAHAOIVMWHDBMX-UHFFFAOYSA-N, DB-067612, FT-0604140, 3-[isocyano[(4-methylphenyl)sulfonyl]methyl]Thiophene, 3-[1-isocyano-1-(toluene-4-sulfonyl)-methyl]-thiophene

Molecular Formula: C13H11NO2S2Molecular Weight: 277.361940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: GAHAOIVMWHDBMX-UHFFFAOYSA-N

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α-Dimethoxymethyl-Methoxypropionitrile 1608-83-9
Compound Structure IUPAC Name: 3,3-dimethoxy-2-(methoxymethyl)propanenitrile | CAS Registry Number: 1608-83-9
Synonyms: CTK4D0639, AG-E-10492, Propanenitrile,3,3-dimethoxy-2-(methoxymethyl)-, 3,3-DIMETHOXY-2-(METHOXYMETHYL) PROPANENITRILE, Malonaldehydonitrile,(methoxymethyl)-, dimethyl acetal (8CI); Propionaldehyde, 2-cyano-3-methoxy-,dimethyl acetal (6CI,7CI); Propionitrile, 3,3-dimethoxy-2-(methoxymethyl)-;2-(Dimethoxymethyl)-3-methoxypropionitrile; 2-Cyano-1,1,3-trimethoxypropane

Molecular Formula: C7H13NO3Molecular Weight: 159.183020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: ZOGALNPAGNDURI-UHFFFAOYSA-N

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α-Methyl-3-Isoquinolinemethanol 58794-05-1
Compound Structure IUPAC Name: 1-isoquinolin-3-ylethanol | CAS Registry Number: 58794-05-1
Synonyms: SCHEMBL6638354, 3-(1-hydroxyethyl)-isoquinoline, AHFNTGSCVZVNPP-UHFFFAOYSA-N, 3-Isoquinolinemethanol, a-methyl-

Molecular Formula: C11H11NOMolecular Weight: 173.211140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AHFNTGSCVZVNPP-UHFFFAOYSA-N

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α-Naphthy Isocyanate 1984-04-9
Compound Structure IUPAC Name: 1-isocyanonaphthalene | CAS Registry Number: 1984-04-9
Synonyms: 1-ISOCYANONAPHTHALENE, alpha-Isocyanonaphthalene, Naphthalene, 1-isocyano-, alpha-Naphthyl isocyanate, 1-Naphthyl isocyanide (7CI,8CI), TOS-BB-0779, CID16122, LS-94717

Molecular Formula: C11H7NMolecular Weight: 153.179980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PTCSLGONLAYNQB-UHFFFAOYSA-N

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α-Pyridoin 1141-06-6
Compound Structure IUPAC Name: 2-hydroxy-1,2-di(pyridin-2-yl)ethanone | CAS Registry Number: 1141-06-6
Synonyms: .alpha.-Pyridoin, alpha-Pyridoin, P65401_ALDRICH, NSC24017, EINECS 214-526-5, Ethanone, 2-hydroxy-1,2-di-2-pyridinyl-, 2-Hydroxy-1,2-di-2-pyridylethanone, Ketone, hydroxy-2-pyridylmethyl 2-pyridyl, ST5307680

Molecular Formula: C12H10N2O2Molecular Weight: 214.220000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ZKBDAJDDDOIASC-UHFFFAOYSA-N

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α-Sexithiophene 88493-55-4
Compound Structure IUPAC Name: 2-thiophen-2-yl-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene | CAS Registry Number: 88493-55-4
Synonyms: Sexithiophene, alpha-Sexithiophene, 2,2':5',2'':5'',2''':5''',2'''':5'''',2'''''-Sexithiophene, 6T, |A-Sexithiophene, ACMC-20lajr, SureCN1105086, 594687_ALDRICH, AGN-PC-00758L, CTK3E7947, AKOS015898492, AG-H-56581, FT-0622494, S0504, Hexathienyl;Sexithienyl; Sexithiophene; a-6T; a-Hexathienylene; a-Hexathiophene; a-Sexithienyl; a-Sexithiophene

Molecular Formula: C24H14S6Molecular Weight: 494.757960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: KUJYDIFFRDAYDH-UHFFFAOYSA-N

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α-Tosyl-(2,3-Difluorobenzyl)isocyanide 660431-67-4
Compound Structure IUPAC Name: 1,2-difluoro-3-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene | CAS Registry Number: 660431-67-4
Synonyms: 1,2-difluoro-3-(isocyano(tosyl)methyl)benzene, a-Tosyl-(2,3-difluorobenzyl)isocyanide, PubChem11899, AKOS016009766, ?-Tosyl-(2,3-difluorobenzyl)isocyanide, a-Tosyl-(2,3-difluorobenzyl) isocyanide, AK113842, KB-216320, A8930, FT-0604132

Molecular Formula: C15H11F2NO2SMolecular Weight: 307.315146 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: WGVYWHBARPHMBW-UHFFFAOYSA-N

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α-Tosyl-(2,4-Difluorobenzyl)isocyanide 660431-66-3
Compound Structure IUPAC Name: 2,4-difluoro-1-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene | CAS Registry Number: 660431-66-3
Synonyms: 2,4-difluoro-1-(isocyano(tosyl)methyl)benzene, a-Tosyl-(2,4-difluorobenzyl)isocyanide, PubChem11898, CTK8J9010, AKOS016009754, ?-Tosyl-(2,4-difluorobenzyl)isocyanide, AK113841, KB-225654, A8929, FT-0604131, 2,4-DIFLUORO-1-[ISOCYANO-(TOLUENE-4-SULFONYL)-METHYL]-BENZENE

Molecular Formula: C15H11F2NO2SMolecular Weight: 307.315146 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: JULOFCZKOQFMRJ-UHFFFAOYSA-N

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α-Tosyl-(2,5-Difluorobenzyl)isocyanide 668981-01-9
Compound Structure IUPAC Name: 1,4-difluoro-2-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene | CAS Registry Number: 668981-01-9
Synonyms: 1,4-difluoro-2-(isocyano(tosyl)methyl)benzene, a-Tosyl-(2,5-difluorobenzyl)isocyanide, PubChem11901, AKOS016009767, AK113843, KB-216549, FT-0604134

Molecular Formula: C15H11F2NO2SMolecular Weight: 307.315146 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: SYHMCIYCFACHBI-UHFFFAOYSA-N

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α-Tosyl-(2,6-Difluorobenzyl)isocyanide 668990-76-9
Compound Structure IUPAC Name: 1,3-difluoro-2-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene | CAS Registry Number: 668990-76-9
Synonyms: 1,3-difluoro-2-(isocyano(tosyl)methyl)benzene, a-Tosyl-(2,6-difluorobenzyl)isocyanide, PubChem11900, CTK8J9444, AKOS016009777, AK113844, KB-216447, FT-0604133

Molecular Formula: C15H11F2NO2SMolecular Weight: 307.315146 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: XRZVJWVIFPCZCL-UHFFFAOYSA-N

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α-Tosyl-(3,4-Difluorobenzyl)isocyanide 321345-37-3
Compound Structure IUPAC Name: 1,2-difluoro-4-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene | CAS Registry Number: 321345-37-3
Synonyms: a-Tosyl-(3,4-difluorobenzyl)isocyanide, 1,2-Difluoro-4-(isocyano(tosyl)methyl)benzene, PubChem11897, AKOS016009723, ?-Tosyl-(3,4-difluorobenzyl)isocyanide, a-Tosyl-(3,4-difluorobenzyl) isocyanide, AK113831, KB-216324, A5783, FT-0604130

Molecular Formula: C15H11F2NO2SMolecular Weight: 307.315146 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: DUHMNGGUXBLMCW-UHFFFAOYSA-N

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α-Tosyl-(3,4-Dimethoxybenzyl)isocyanide 71146-67-3
Compound Structure IUPAC Name: 4-[isocyano-(4-methylphenyl)sulfonylmethyl]-1,2-dimethoxybenzene | CAS Registry Number: 71146-67-3
Synonyms: 4-(Isocyano(tosyl)methyl)-1,2-dimethoxybenzene, 4-[isocyano-(4-methylphenyl)sulfonylmethyl]-1,2-dimethoxybenzene, a-Tosyl-(3,4-dimethoxybenzyl)isocyanide, 943614-50-4, 4-[Isocyano-(toluene-4-sulfonyl)methyl]-1,2-dimethoxy-benzene, AC1MCKCV, PubChem12383, PubChem17227, CTK5H6467, MolPort-001-756-465, 4-[isocyano-(4-methylphenyl)sulfonyl-methyl]-1,2-dimethoxy-benzene, AKOS005257439, AG-H-89653, GL-0127, OR01581, AK113847, KB-239033, 1-(3,4-Dimethoxyphenyl)-1-tosylmethyl isocyanide, A837093, (3,4-Dimethoxyphenyl)(isocyano)methyl 4-methylphenyl sulphone

Molecular Formula: C17H17NO4SMolecular Weight: 331.386180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: BBHGJASHMFZDSX-UHFFFAOYSA-N

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α-Tosyl-(3-Iodomethylbenzyl)isocyanide 655254-56-1
Compound Structure IUPAC Name: 1-(iodomethyl)-3-[isocyano-(4-methylphenyl)sulfonylmethyl]benzene | CAS Registry Number: 655254-56-1
Synonyms: a-Tosyl-(3-iodomethylbenzyl)isocyanide, PubChem11886, FT-0604126

Molecular Formula: C16H14INO2SMolecular Weight: 411.257330 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: GVGUWDOSVAINIM-UHFFFAOYSA-N

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α-Tosyl-(4-Iodomethylbenzyl)isocyanide 655254-68-5
Compound Structure IUPAC Name: 1-[[4-(iodomethyl)phenyl]-isocyanomethyl]sulfonyl-4-methylbenzene | CAS Registry Number: 655254-68-5
Synonyms: a-Tosyl-(4-iodomethylbenzyl)isocyanide, PubChem11883, FT-0604125

Molecular Formula: C16H14INO2SMolecular Weight: 411.257330 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: FYWRJNIPLVUVHS-UHFFFAOYSA-N

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β-Alanine, N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-Methyl-1H-Benzimidazol-5-Yl]carbonyl]-N-2-Pyridinyl- 211914-51-1
Compound Structure IUPAC Name: 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoic acid | CAS Registry Number: 211914-51-1
Synonyms: Dabigatran, Dabigatran [INN], UNII-I0VM4M70GC, BIBR-953ZW, BIBR-953, CHEBI:175302, CID216210, 3-({2-[(4-Carbamimidoyl-phenylamino)-methyl]-1-methyl-1H-benzoimidazole-5-carbonyl}-pyridin-2-yl-amino)-propionic acid, N-((2-((p-Amidinoanilino)methyl)-1-methyl-5-benzimidazolyl)carbonyl)-N-2-pyridyl-beta-alanine

Molecular Formula: C25H25N7O3Molecular Weight: 471.511100 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 8

InChIKey: YBSJFWOBGCMAKL-UHFFFAOYSA-N

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β-Chamigrene 18431-82-8
Compound Structure IUPAC Name: (6R)-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-9-ene | CAS Registry Number: 18431-82-8
Synonyms: beta-Chamigrene, CID442353, C09637

Molecular Formula: C15H24Molecular Weight: 204.351060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: WLNGPDPILFYWKF-OAHLLOKOSA-N

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β-Cyclodextrin hydrate 68168-23-0
Compound Structure IUPAC Name: 5-fluoro-1H-indole | CAS Registry Number: 68168-23-0
Synonyms: 5-Fluoroindole, 5-Fluoro-1H-indole, 399-52-0, 1H-Indole, 5-fluoro-, 5-Fluoro indole, Indole, 5-fluoro-, 5-fluoro-indole, 5-fluor-1h-indol, CHEMBL555457, CHEBI:72818, ODFFPRGJZRXNHZ-UHFFFAOYSA-N, ST51038594, 3fuf, PubChem1681, 5-Fluoro-1H-indole #, ACMC-209j9c, AC1L28HT, F9108_ALDRICH, KSC223O5R, BIDD:GT0536

Molecular Formula: C8H6FNMolecular Weight: 135.138343 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ODFFPRGJZRXNHZ-UHFFFAOYSA-N

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β-Cyclopentyl-4-(7H-Pyrrolo[2,3-D]pyrimidin-4-Yl)-(βR)-1H-Pyrazole-1-Propanenitrile 941678-49-5
Compound Structure IUPAC Name: (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile | CAS Registry Number: 941678-49-5
Synonyms: Ruxolitinib, INCB-018424, INCB018424, UNII-82S8X8XX8H, CHEBI:66919, Ruxolitinib, 941678-49-5, INCB 018424, (R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile, ?-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(?R)-1H-pyrazole-1-propanenitrile, Ruxolitinib [INN], S1378_Selleck, Ruxolitinib (USAN/INN), Ruxolitinib [USAN:INN], INCB18424,Ruxolitinib, SureCN171319, INCB424, cc-189, 82S8X8XX8H, INCB018424 (Ruxolitinib), INCB018424 - Ruxolitinib

Molecular Formula: C17H18N6Molecular Weight: 306.365020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HFNKQEVNSGCOJV-OAHLLOKOSA-N

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