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

Details

Stereochemistry ACHIRAL
Molecular Formula C5H3BrO2S
Molecular Weight 207.045
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-BROMO-3-THENOIC ACID

SMILES

OC(=O)C1=CSC=C1Br

InChI

InChIKey=APBIZVFQQBCAAT-UHFFFAOYSA-N
InChI=1S/C5H3BrO2S/c6-4-2-9-1-3(4)5(7)8/h1-2H,(H,7,8)

HIDE SMILES / InChI

Molecular Formula C5H3BrO2S
Molecular Weight 207.045
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 12:26:44 GMT 2023
Edited
by admin
on Sat Dec 16 12:26:44 GMT 2023
Record UNII
FX6W43FRG7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-BROMO-3-THENOIC ACID
Systematic Name English
4-BROMO-3-THIOPHENECARBOXYLIC ACID
Systematic Name English
3-THIOPHENECARBOXYLIC ACID, 4-BROMO-
Systematic Name English
4-BROMOTHIOPHEN-3-CARBOXYLIC ACID
Common Name English
Code System Code Type Description
PUBCHEM
85546
Created by admin on Sat Dec 16 12:26:44 GMT 2023 , Edited by admin on Sat Dec 16 12:26:44 GMT 2023
PRIMARY
CAS
16694-17-0
Created by admin on Sat Dec 16 12:26:44 GMT 2023 , Edited by admin on Sat Dec 16 12:26:44 GMT 2023
PRIMARY
EPA CompTox
DTXSID50168205
Created by admin on Sat Dec 16 12:26:44 GMT 2023 , Edited by admin on Sat Dec 16 12:26:44 GMT 2023
PRIMARY
ECHA (EC/EINECS)
240-739-8
Created by admin on Sat Dec 16 12:26:44 GMT 2023 , Edited by admin on Sat Dec 16 12:26:44 GMT 2023
PRIMARY
FDA UNII
FX6W43FRG7
Created by admin on Sat Dec 16 12:26:44 GMT 2023 , Edited by admin on Sat Dec 16 12:26:44 GMT 2023
PRIMARY