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

Details

Stereochemistry ACHIRAL
Molecular Formula C5H10OS
Molecular Weight 118.197
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(METHYLTHIO)-2-BUTANONE

SMILES

CCC(=O)CSC

InChI

InChIKey=GOAGGJDTOMPTSA-UHFFFAOYSA-N
InChI=1S/C5H10OS/c1-3-5(6)4-7-2/h3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C5H10OS
Molecular Weight 118.197
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 Mon Mar 31 19:24:30 GMT 2025
Edited
by admin
on Mon Mar 31 19:24:30 GMT 2025
Record UNII
KPY19W300G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FEMA NO. 3207
Preferred Name English
1-(METHYLTHIO)-2-BUTANONE
Systematic Name English
METHYLTHIOMETHYL ETHYL KETONE
Systematic Name English
1-(METHYL THIO)-2-BUTANONE [FHFI]
Common Name English
1-METHYLTHIO-2-BUTANONE
Systematic Name English
2-BUTANONE, 1-(METHYLTHIO)-
Systematic Name English
Code System Code Type Description
FDA UNII
KPY19W300G
Created by admin on Mon Mar 31 19:24:30 GMT 2025 , Edited by admin on Mon Mar 31 19:24:30 GMT 2025
PRIMARY
PUBCHEM
61656
Created by admin on Mon Mar 31 19:24:30 GMT 2025 , Edited by admin on Mon Mar 31 19:24:30 GMT 2025
PRIMARY
CAS
13678-58-5
Created by admin on Mon Mar 31 19:24:30 GMT 2025 , Edited by admin on Mon Mar 31 19:24:30 GMT 2025
PRIMARY
JECFA MONOGRAPH
519
Created by admin on Mon Mar 31 19:24:30 GMT 2025 , Edited by admin on Mon Mar 31 19:24:30 GMT 2025
PRIMARY
ECHA (EC/EINECS)
237-169-7
Created by admin on Mon Mar 31 19:24:30 GMT 2025 , Edited by admin on Mon Mar 31 19:24:30 GMT 2025
PRIMARY
EPA CompTox
DTXSID4065577
Created by admin on Mon Mar 31 19:24:30 GMT 2025 , Edited by admin on Mon Mar 31 19:24:30 GMT 2025
PRIMARY