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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H10O2S
Molecular Weight 182.24
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S)-3-PHENYL-2-SULFANYLPROPANOIC ACID

SMILES

OC(=O)[C@@H](S)CC1=CC=CC=C1

InChI

InChIKey=HGIOOMCLOWLFTJ-QMMMGPOBSA-N
InChI=1S/C9H10O2S/c10-9(11)8(12)6-7-4-2-1-3-5-7/h1-5,8,12H,6H2,(H,10,11)/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula C9H10O2S
Molecular Weight 182.24
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 Sat Dec 16 16:10:07 GMT 2023
Edited
by admin
on Sat Dec 16 16:10:07 GMT 2023
Record UNII
A53XUF5CSX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S)-3-PHENYL-2-SULFANYLPROPANOIC ACID
Systematic Name English
GEMOPATRILAT METABOLITE M10
Common Name English
BENZENEPROPANOIC ACID, .ALPHA.-MERCAPTO-, (.ALPHA.S)-
Systematic Name English
BENZENEPROPANOIC ACID, .ALPHA.-MERCAPTO-, (S)-
Systematic Name English
BMS 196087
Common Name English
OMAPATRILAT METABOLITE M1-B
Common Name English
Code System Code Type Description
CAS
84800-13-5
Created by admin on Sat Dec 16 16:10:07 GMT 2023 , Edited by admin on Sat Dec 16 16:10:07 GMT 2023
PRIMARY
PUBCHEM
10154332
Created by admin on Sat Dec 16 16:10:07 GMT 2023 , Edited by admin on Sat Dec 16 16:10:07 GMT 2023
PRIMARY
FDA UNII
A53XUF5CSX
Created by admin on Sat Dec 16 16:10:07 GMT 2023 , Edited by admin on Sat Dec 16 16:10:07 GMT 2023
PRIMARY
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