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

Details

Stereochemistry ACHIRAL
Molecular Formula C5H4O2S
Molecular Weight 128.149
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-THIOPHENECARBOXYLIC ACID

SMILES

OC(=O)C1=CSC=C1

InChI

InChIKey=YNVOMSDITJMNET-UHFFFAOYSA-N
InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Differential reactivity of thiophene-2-carboxylic and thiophene-3-carboxylic acids: Results from DFT and Hartree-Fock theory.
2010-02-26
Experimental and theoretical study of the polarized infrared spectra of the hydrogen bond in 3-thiophenic acid crystal.
2010-02
Aqua-(2,2'-bipyridine-κN,N')[2-(3-thien-yl)malonato-κO,O']zinc(II) dihydrate.
2009-11-18
Synthesis and characterization of polyacetylene with side-chain thiophene functionality.
2008-03
Toward a magnetostructural correlation for a family of Mn6 SMMs.
2007-10-17
New metal-organic polygons involving MM quadruple bonds: M8(O2CtBu)4(mu-SC4H2-3,4-{CO2}2)6 (M=Mo, W).
2005-12-12
Prediction of genotoxicity of chemical compounds by statistical learning methods.
2005-06
Mutasynthesis of enterocin and wailupemycin analogues.
2003-08-06
2-Amino-3-benzoylthiophene allosteric enhancers of A1 adenosine agonist binding: new 3, 4-, and 5-modifications.
2003-05-08
Patents
Name Type Language
3-THIOPHENECARBOXYLIC ACID
Systematic Name English
3-THENOIC ACID
MI  
Preferred Name English
NSC-66314
Code English
3-THIENYLCARBOXYLIC ACID
Systematic Name English
3-CARBOXYTHIOPHENE
Systematic Name English
.BETA.-THIOPHENIC ACID
Common Name English
.BETA.-THIOPHENECARBOXYLIC ACID
Common Name English
3-THENOIC ACID [MI]
Common Name English
Code System Code Type Description
NSC
66314
Created by admin on Mon Mar 31 21:07:29 GMT 2025 , Edited by admin on Mon Mar 31 21:07:29 GMT 2025
PRIMARY
MERCK INDEX
m10700
Created by admin on Mon Mar 31 21:07:29 GMT 2025 , Edited by admin on Mon Mar 31 21:07:29 GMT 2025
PRIMARY Merck Index
EPA CompTox
DTXSID40236745
Created by admin on Mon Mar 31 21:07:29 GMT 2025 , Edited by admin on Mon Mar 31 21:07:29 GMT 2025
PRIMARY
CAS
88-13-1
Created by admin on Mon Mar 31 21:07:29 GMT 2025 , Edited by admin on Mon Mar 31 21:07:29 GMT 2025
PRIMARY
ECHA (EC/EINECS)
201-802-5
Created by admin on Mon Mar 31 21:07:29 GMT 2025 , Edited by admin on Mon Mar 31 21:07:29 GMT 2025
PRIMARY
FDA UNII
6V3012Q6BE
Created by admin on Mon Mar 31 21:07:29 GMT 2025 , Edited by admin on Mon Mar 31 21:07:29 GMT 2025
PRIMARY
PUBCHEM
6918
Created by admin on Mon Mar 31 21:07:29 GMT 2025 , Edited by admin on Mon Mar 31 21:07:29 GMT 2025
PRIMARY