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

Details

Stereochemistry ACHIRAL
Molecular Formula C4H8OS
Molecular Weight 104.171
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-METHYLTHIO-2-PROPANONE

SMILES

CSCC(C)=O

InChI

InChIKey=UKFADLGENFFWHR-UHFFFAOYSA-N
InChI=1S/C4H8OS/c1-4(5)3-6-2/h3H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C4H8OS
Molecular Weight 104.171
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 22:12:18 GMT 2023
Edited
by admin
on Fri Dec 15 22:12:18 GMT 2023
Record UNII
S6V0DW7BQA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-METHYLTHIO-2-PROPANONE
FHFI  
Systematic Name English
1-METHYLTHIO-2-PROPANONE [FHFI]
Common Name English
2-THIA-4-PENTANONE
Systematic Name English
.ALPHA.-(METHYLTHIO)PROPANONE
Systematic Name English
FEMA NO. 3882
Code English
(METHYLTHIO)ACETONE
Systematic Name English
.ALPHA.(METHYLTHIO)ACETONE
Common Name English
2-PROPANONE, 1-(METHYLTHIO)-
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 1-METHYLTHIO-2-PROPANONE
Created by admin on Fri Dec 15 22:12:18 GMT 2023 , Edited by admin on Fri Dec 15 22:12:18 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID30161572
Created by admin on Fri Dec 15 22:12:18 GMT 2023 , Edited by admin on Fri Dec 15 22:12:18 GMT 2023
PRIMARY
JECFA MONOGRAPH
518
Created by admin on Fri Dec 15 22:12:18 GMT 2023 , Edited by admin on Fri Dec 15 22:12:18 GMT 2023
PRIMARY
PUBCHEM
6430713
Created by admin on Fri Dec 15 22:12:18 GMT 2023 , Edited by admin on Fri Dec 15 22:12:18 GMT 2023
PRIMARY
CAS
14109-72-9
Created by admin on Fri Dec 15 22:12:18 GMT 2023 , Edited by admin on Fri Dec 15 22:12:18 GMT 2023
PRIMARY
FDA UNII
S6V0DW7BQA
Created by admin on Fri Dec 15 22:12:18 GMT 2023 , Edited by admin on Fri Dec 15 22:12:18 GMT 2023
PRIMARY