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Details

Stereochemistry ACHIRAL
Molecular Formula C6H4O3S
Molecular Weight 156.1605
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-THIOPHENEGLYOXYLIC ACID

SMILES

c1cc(C(=O)C(=O)O)sc1

InChI

InChIKey=GIWRVUADKUVEGU-UHFFFAOYSA-N
InChI=1S/C6H4O3S/c7-5(6(8)9)4-2-1-3-10-4/h1-3H,(H,8,9)

HIDE SMILES / InChI

Molecular Formula C6H4O3S
Molecular Weight 156.1605
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Prediction of genotoxicity of chemical compounds by statistical learning methods.
2005 Jun
2-Oxo-2-(2-thien-yl)acetic acid.
2010 Nov 6
Patents
Substance Class Chemical
Created
by admin
on Sat Jun 26 12:44:54 UTC 2021
Edited
by admin
on Sat Jun 26 12:44:54 UTC 2021
Record UNII
723A77PV2M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-THIOPHENEGLYOXYLIC ACID
Systematic Name English
ACLIDINIUM METABOLITE (2-THIOPHENEGLYOXYLIC ACID)
Common Name English
.ALPHA.-OXO-2-THIOPHENEACETIC ACID
Systematic Name English
2-THIOPHENEACETIC ACID, .ALPHA.-OXO-
Systematic Name English
2-OXO-2-(THIOPHEN-2-YL)ACETIC ACID
Systematic Name English
.ALPHA.-THIENYLGLYOXALIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
77694
Created by admin on Sat Jun 26 12:44:54 UTC 2021 , Edited by admin on Sat Jun 26 12:44:54 UTC 2021
PRIMARY
ECHA (EC/EINECS)
223-794-2
Created by admin on Sat Jun 26 12:44:54 UTC 2021 , Edited by admin on Sat Jun 26 12:44:54 UTC 2021
PRIMARY
FDA UNII
723A77PV2M
Created by admin on Sat Jun 26 12:44:54 UTC 2021 , Edited by admin on Sat Jun 26 12:44:54 UTC 2021
PRIMARY
EPA CompTox
4075-59-6
Created by admin on Sat Jun 26 12:44:54 UTC 2021 , Edited by admin on Sat Jun 26 12:44:54 UTC 2021
PRIMARY
CAS
4075-59-6
Created by admin on Sat Jun 26 12:44:54 UTC 2021 , Edited by admin on Sat Jun 26 12:44:54 UTC 2021
PRIMARY
Related Record Type Details
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