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

Details

Stereochemistry RACEMIC
Molecular Formula C4H8OS
Molecular Weight 104.171
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-MERCAPTO-2-BUTANONE

SMILES

CC(S)C(C)=O

InChI

InChIKey=XLMPYCGSRHSSSX-UHFFFAOYSA-N
InChI=1S/C4H8OS/c1-3(5)4(2)6/h4,6H,1-2H3

HIDE SMILES / InChI

Molecular Formula C4H8OS
Molecular Weight 104.171
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:40:52 GMT 2023
Edited
by admin
on Fri Dec 15 18:40:52 GMT 2023
Record UNII
99G79565PJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-MERCAPTO-2-BUTANONE
FHFI  
Systematic Name English
FEMA NO. 3298
Code English
3-MERCAPTO-2-BUTANONE [FHFI]
Common Name English
2-MERCAPTO-3-BUTANONE
Systematic Name English
(±)-3-MERCAPTO-2-BUTANONE
Systematic Name English
2-BUTANONE, 3-MERCAPTO-
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 3-MERCAPTO-2-BUTANONE
Created by admin on Fri Dec 15 18:40:52 GMT 2023 , Edited by admin on Fri Dec 15 18:40:52 GMT 2023
Code System Code Type Description
CAS
40789-98-8
Created by admin on Fri Dec 15 18:40:52 GMT 2023 , Edited by admin on Fri Dec 15 18:40:52 GMT 2023
PRIMARY
JECFA MONOGRAPH
141
Created by admin on Fri Dec 15 18:40:52 GMT 2023 , Edited by admin on Fri Dec 15 18:40:52 GMT 2023
PRIMARY
ECHA (EC/EINECS)
255-082-2
Created by admin on Fri Dec 15 18:40:52 GMT 2023 , Edited by admin on Fri Dec 15 18:40:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID90866016
Created by admin on Fri Dec 15 18:40:52 GMT 2023 , Edited by admin on Fri Dec 15 18:40:52 GMT 2023
PRIMARY
FDA UNII
99G79565PJ
Created by admin on Fri Dec 15 18:40:52 GMT 2023 , Edited by admin on Fri Dec 15 18:40:52 GMT 2023
PRIMARY
PUBCHEM
38679
Created by admin on Fri Dec 15 18:40:52 GMT 2023 , Edited by admin on Fri Dec 15 18:40:52 GMT 2023
PRIMARY