2,2-DIPHENYL-4-MERCAPTO-BUTYRIC ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H16O2S
Molecular Weight	272.362
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,2-DIPHENYL-4-MERCAPTO-BUTYRIC ACID

Structure Search

SMILES

OC(=O)C(CCS)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChIKey=ZWILEONEUTXNPU-UHFFFAOYSA-N

InChI=1S/C16H16O2S/c17-15(18)16(11-12-19,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,19H,11-12H2,(H,17,18)

HIDE SMILES / InChI

Molecular Formula	C16H16O2S
Molecular Weight	272.362
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:36:10 GMT 2025` Edited by `admin` on `Tue Apr 01 19:36:10 GMT 2025`
Record UNII	I38IRB0PJL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,2-DIPHENYL-4-MERCAPTO-BUTYRIC ACID

Common Name

English

NSC-93974

Preferred Name

English

BENZENEACETIC ACID, .ALPHA.-(2-MERCAPTOETHYL)-.ALPHA.-PHENYL-

Systematic Name

English

Code System Code Type Description

PUBCHEM

52416

Created by admin on Tue Apr 01 19:36:10 GMT 2025 , Edited by admin on Tue Apr 01 19:36:10 GMT 2025

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FDA UNII

I38IRB0PJL

Created by admin on Tue Apr 01 19:36:10 GMT 2025 , Edited by admin on Tue Apr 01 19:36:10 GMT 2025

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NSC

93974

Created by admin on Tue Apr 01 19:36:10 GMT 2025 , Edited by admin on Tue Apr 01 19:36:10 GMT 2025

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EPA CompTox

DTXSID50224113

Created by admin on Tue Apr 01 19:36:10 GMT 2025 , Edited by admin on Tue Apr 01 19:36:10 GMT 2025

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CAS

73758-57-3

Created by admin on Tue Apr 01 19:36:10 GMT 2025 , Edited by admin on Tue Apr 01 19:36:10 GMT 2025

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