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

Details

Stereochemistry RACEMIC
Molecular Formula C7H12OS2
Molecular Weight 176.3
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(2-PROPEN-1-YLDITHIO)-2-BUTANONE

SMILES

CC(SSCC=C)C(C)=O

InChI

InChIKey=JAMHJHUEKFCRFD-UHFFFAOYSA-N
InChI=1S/C7H12OS2/c1-4-5-9-10-7(3)6(2)8/h4,7H,1,5H2,2-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
FEMA NO. 4843
Preferred Name English
3-(2-PROPEN-1-YLDITHIO)-2-BUTANONE
Systematic Name English
3-(ALLYLDITHIO)BUTAN-2-ONE
Systematic Name English
3-(ALLYLDISULFANYL)BUTAN-2-ONE
Systematic Name English
Code System Code Type Description
CAS
1838169-65-5
Created by admin on Wed Apr 02 04:47:55 GMT 2025 , Edited by admin on Wed Apr 02 04:47:55 GMT 2025
PRIMARY
PUBCHEM
146048049
Created by admin on Wed Apr 02 04:47:55 GMT 2025 , Edited by admin on Wed Apr 02 04:47:55 GMT 2025
PRIMARY
FDA UNII
0130OGA1VE
Created by admin on Wed Apr 02 04:47:55 GMT 2025 , Edited by admin on Wed Apr 02 04:47:55 GMT 2025
PRIMARY