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Details

Stereochemistry RACEMIC
Molecular Formula C5H10OS
Molecular Weight 118.197
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(METHYLTHIO)-2-BUTANONE

SMILES

CSC(C)C(C)=O

InChI

InChIKey=HFVLNCDRAMUMCC-UHFFFAOYSA-N
InChI=1S/C5H10OS/c1-4(6)5(2)7-3/h5H,1-3H3

HIDE SMILES / InChI

Molecular Formula C5H10OS
Molecular Weight 118.197
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 22:03:37 GMT 2023
Edited
by admin
on Fri Dec 15 22:03:37 GMT 2023
Record UNII
9B48E0787W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(METHYLTHIO)-2-BUTANONE
FHFI  
Systematic Name English
DL-3-(METHYLTHIO)BUTANONE
Common Name English
DEXTRO,LAEVO-3-(METHYL THIO) BUTANONE
Common Name English
FEMA NO. 4181
Code English
(±)-3-(METHYLTHIO)-2-BUTANONE
Systematic Name English
3-(METHYLTHIO)-2-BUTANONE, (±)-
Systematic Name English
3-(METHYLTHIO)-2-BUTANONE [FHFI]
Common Name English
2-BUTANONE, 3-(METHYLTHIO)-
Systematic Name English
3-(METHYLTHIO)BUTANONE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 3-(METHYLTHIO)-2-BUTANONE
Created by admin on Fri Dec 15 22:03:37 GMT 2023 , Edited by admin on Fri Dec 15 22:03:37 GMT 2023
Code System Code Type Description
ECHA (EC/EINECS)
258-576-6
Created by admin on Fri Dec 15 22:03:37 GMT 2023 , Edited by admin on Fri Dec 15 22:03:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID80866343
Created by admin on Fri Dec 15 22:03:37 GMT 2023 , Edited by admin on Fri Dec 15 22:03:37 GMT 2023
PRIMARY
PUBCHEM
103788
Created by admin on Fri Dec 15 22:03:37 GMT 2023 , Edited by admin on Fri Dec 15 22:03:37 GMT 2023
PRIMARY
CAS
53475-15-3
Created by admin on Fri Dec 15 22:03:37 GMT 2023 , Edited by admin on Fri Dec 15 22:03:37 GMT 2023
PRIMARY
JECFA MONOGRAPH
1675
Created by admin on Fri Dec 15 22:03:37 GMT 2023 , Edited by admin on Fri Dec 15 22:03:37 GMT 2023
PRIMARY
FDA UNII
9B48E0787W
Created by admin on Fri Dec 15 22:03:37 GMT 2023 , Edited by admin on Fri Dec 15 22:03:37 GMT 2023
PRIMARY