U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C6H6O2S
Molecular Weight 142.176
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-THIOPHENEACETIC ACID

SMILES

OC(=O)CC1=CC=CS1

InChI

InChIKey=SMJRBWINMFUUDS-UHFFFAOYSA-N
InChI=1S/C6H6O2S/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8)

HIDE SMILES / InChI

Molecular Formula C6H6O2S
Molecular Weight 142.176
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 Sat Dec 16 12:31:13 GMT 2023
Edited
by admin
on Sat Dec 16 12:31:13 GMT 2023
Record UNII
A8S4F49X7A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-THIOPHENEACETIC ACID
Systematic Name English
(THIEN-2-YL)ACETIC ACID
Systematic Name English
2-(2-THIENYL)ACETIC ACID
Systematic Name English
2-(THIOPHEN-2-YL)ACETIC ACID
Systematic Name English
THIOPHENE-2-ACETIC ACID
Systematic Name English
Code System Code Type Description
CHEBI
45807
Created by admin on Sat Dec 16 12:31:13 GMT 2023 , Edited by admin on Sat Dec 16 12:31:13 GMT 2023
PRIMARY
PUBCHEM
15970
Created by admin on Sat Dec 16 12:31:13 GMT 2023 , Edited by admin on Sat Dec 16 12:31:13 GMT 2023
PRIMARY
CAS
1918-77-0
Created by admin on Sat Dec 16 12:31:13 GMT 2023 , Edited by admin on Sat Dec 16 12:31:13 GMT 2023
PRIMARY
FDA UNII
A8S4F49X7A
Created by admin on Sat Dec 16 12:31:13 GMT 2023 , Edited by admin on Sat Dec 16 12:31:13 GMT 2023
PRIMARY
EPA CompTox
DTXSID5062059
Created by admin on Sat Dec 16 12:31:13 GMT 2023 , Edited by admin on Sat Dec 16 12:31:13 GMT 2023
PRIMARY
ECHA (EC/EINECS)
217-639-8
Created by admin on Sat Dec 16 12:31:13 GMT 2023 , Edited by admin on Sat Dec 16 12:31:13 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT