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Details

Stereochemistry ACHIRAL
Molecular Formula C7H10O4S
Molecular Weight 190.217
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 3-((3-Carboxypropyl)thio)acrylic acid

SMILES

OC(=O)CCCS\C=C\C(O)=O

InChI

InChIKey=ZZVSGQUJCJHNLE-HWKANZROSA-N
InChI=1S/C7H10O4S/c8-6(9)2-1-4-12-5-3-7(10)11/h3,5H,1-2,4H2,(H,8,9)(H,10,11)/b5-3+

HIDE SMILES / InChI

Molecular Formula C7H10O4S
Molecular Weight 190.217
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 Tue Apr 01 16:26:04 GMT 2025
Edited
by admin
on Tue Apr 01 16:26:04 GMT 2025
Record UNII
M293P56NF2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-161620
Preferred Name English
3-((3-Carboxypropyl)thio)acrylic acid
Systematic Name English
Butanoic acid, 4-[(2-carboxyethenyl)thio]-, (E)-
Systematic Name English
4-[(2-Carboxyethenyl)thio]butanoic acid
Systematic Name English
Butanoic acid, 4-[(2-carboxyethenyl)thio]-
Systematic Name English
Code System Code Type Description
NSC
161620
Created by admin on Tue Apr 01 16:26:04 GMT 2025 , Edited by admin on Tue Apr 01 16:26:04 GMT 2025
PRIMARY
FDA UNII
M293P56NF2
Created by admin on Tue Apr 01 16:26:04 GMT 2025 , Edited by admin on Tue Apr 01 16:26:04 GMT 2025
PRIMARY
PUBCHEM
5921548
Created by admin on Tue Apr 01 16:26:04 GMT 2025 , Edited by admin on Tue Apr 01 16:26:04 GMT 2025
PRIMARY
CAS
906429-23-0
Created by admin on Tue Apr 01 16:26:04 GMT 2025 , Edited by admin on Tue Apr 01 16:26:04 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
CAS
41108-58-1
Created by admin on Tue Apr 01 16:26:04 GMT 2025 , Edited by admin on Tue Apr 01 16:26:04 GMT 2025
PRIMARY