4-CHLOROPHENYLMERCAPTURIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C11H12ClNO3S
Molecular Weight	273.736
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-CHLOROPHENYLMERCAPTURIC ACID

Structure Search

SMILES

CC(=O)N[C@@H](CSC1=CC=C(Cl)C=C1)C(O)=O

InChI

InChIKey=NYIHHVVSWNGRAJ-JTQLQIEISA-N

InChI=1S/C11H12ClNO3S/c1-7(14)13-10(11(15)16)6-17-9-4-2-8(12)3-5-9/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C11H12ClNO3S
Molecular Weight	273.736
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:56:25 GMT 2025` Edited by `admin` on `Mon Mar 31 18:56:25 GMT 2025`
Record UNII	C347874F4S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALANINE, N-ACETYL-3-((P-CHLOROPHENYL)THIO)-, L-

Preferred Name

English

4-CHLOROPHENYLMERCAPTURIC ACID

Common Name

English

L-CYSTEINE, N-ACETYL-S-(4-CHLOROPHENYL)-

Systematic Name

English

S-(P-CHLOROPHENYL)-(R)-MERCAPTURIC ACID

Common Name

English

N-ACETYL-S-(4-CHLOROPHENYL)-L-CYSTEINE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30944064

Created by admin on Mon Mar 31 18:56:25 GMT 2025 , Edited by admin on Mon Mar 31 18:56:25 GMT 2025

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FDA UNII

C347874F4S

Created by admin on Mon Mar 31 18:56:25 GMT 2025 , Edited by admin on Mon Mar 31 18:56:25 GMT 2025

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CAS

21462-48-6

Created by admin on Mon Mar 31 18:56:25 GMT 2025 , Edited by admin on Mon Mar 31 18:56:25 GMT 2025

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PUBCHEM

88919

Created by admin on Mon Mar 31 18:56:25 GMT 2025 , Edited by admin on Mon Mar 31 18:56:25 GMT 2025

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