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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H8OS
Molecular Weight 140.203
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-PROPIONYLTHIOPHENE

SMILES

CCC(=O)C1=CC=CS1

InChI

InChIKey=MFPZQZZWAMAHOY-UHFFFAOYSA-N
InChI=1S/C7H8OS/c1-2-6(8)7-4-3-5-9-7/h3-5H,2H2,1H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Prediction of genotoxicity of chemical compounds by statistical learning methods.
2005 Jun
Name Type Language
2-PROPIONYLTHIOPHENE
Systematic Name English
ETHYL 2-THIENYL KETONE
Systematic Name English
NSC-76041
Code English
1-PROPANONE, 1-(2-THIENYL)-
Systematic Name English
1-(2-THIENYL)-1-PROPANONE
Systematic Name English
1-(THIOPHEN-2-YL)PROPAN-1-ONE
Systematic Name English
2-PROPANOYLTHIOPHENE
Systematic Name English
Code System Code Type Description
FDA UNII
NY658TVP5M
Created by admin on Sat Dec 16 08:15:14 GMT 2023 , Edited by admin on Sat Dec 16 08:15:14 GMT 2023
PRIMARY
NSC
76041
Created by admin on Sat Dec 16 08:15:14 GMT 2023 , Edited by admin on Sat Dec 16 08:15:14 GMT 2023
PRIMARY
EPA CompTox
DTXSID70159933
Created by admin on Sat Dec 16 08:15:14 GMT 2023 , Edited by admin on Sat Dec 16 08:15:14 GMT 2023
PRIMARY
CAS
213611-32-6
Created by admin on Sat Dec 16 08:15:14 GMT 2023 , Edited by admin on Sat Dec 16 08:15:14 GMT 2023
SUPERSEDED
ECHA (EC/EINECS)
237-182-8
Created by admin on Sat Dec 16 08:15:14 GMT 2023 , Edited by admin on Sat Dec 16 08:15:14 GMT 2023
PRIMARY
CAS
13679-75-9
Created by admin on Sat Dec 16 08:15:14 GMT 2023 , Edited by admin on Sat Dec 16 08:15:14 GMT 2023
PRIMARY
PUBCHEM
26179
Created by admin on Sat Dec 16 08:15:14 GMT 2023 , Edited by admin on Sat Dec 16 08:15:14 GMT 2023
PRIMARY