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Details

Stereochemistry ACHIRAL
Molecular Formula C9H8O2S
Molecular Weight 180.224
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-(PHENYLTHIO)ACRYLIC ACID

SMILES

OC(=O)C=CSC1=CC=CC=C1

InChI

InChIKey=QCLSYKCZWZYPIX-VOTSOKGWSA-N
InChI=1S/C9H8O2S/c10-9(11)6-7-12-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+

HIDE SMILES / InChI

Molecular Formula C9H8O2S
Molecular Weight 180.224
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:56:34 GMT 2025
Edited
by admin
on Mon Mar 31 22:56:34 GMT 2025
Record UNII
33GG76Q229
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(PHENYLTHIO)ACRYLIC ACID
Systematic Name English
NSC-122682
Preferred Name English
3-(Phenylthio)-2-propenoic acid
Systematic Name English
Code System Code Type Description
FDA UNII
33GG76Q229
Created by admin on Mon Mar 31 22:56:34 GMT 2025 , Edited by admin on Mon Mar 31 22:56:34 GMT 2025
PRIMARY
CAS
63413-91-2
Created by admin on Mon Mar 31 22:56:34 GMT 2025 , Edited by admin on Mon Mar 31 22:56:34 GMT 2025
PRIMARY
NSC
122682
Created by admin on Mon Mar 31 22:56:34 GMT 2025 , Edited by admin on Mon Mar 31 22:56:34 GMT 2025
PRIMARY
PUBCHEM
275706
Created by admin on Mon Mar 31 22:56:34 GMT 2025 , Edited by admin on Mon Mar 31 22:56:34 GMT 2025
PRIMARY