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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 4-(METHYLTHIO)-2-BUTANONE

SMILES

CSCCC(C)=O

InChI

InChIKey=DRGHCRKOWMAZAO-UHFFFAOYSA-N
InChI=1S/C5H10OS/c1-5(6)3-4-7-2/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

PubMed

PubMed

TitleDatePubMed
Volatile organic compounds from arctic bacteria of the Cytophaga-Flavobacterium-Bacteroides group: a retrobiosynthetic approach in chemotaxonomic investigations.
2005-03
Substance Class Chemical
Created
by admin
on Mon Mar 31 19:08:59 GMT 2025
Edited
by admin
on Mon Mar 31 19:08:59 GMT 2025
Record UNII
5703W1O1AB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(METHYLTHIO)-2-BUTANONE
Systematic Name English
FEMA NO. 3375
Preferred Name English
4-METHYLTHIO-2-BUTANONE [FHFI]
Common Name English
POTATO BUTANONE
Common Name English
2-BUTANONE, 4-(METHYLTHIO)-
Systematic Name English
4-METHYLSULFANYLBUTAN-2-ONE
Systematic Name English
4-(METHYLTHIO)BUTAN-2-ONE
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 4-(METHYLTHIO)-2-BUTANONE
Created by admin on Mon Mar 31 19:08:59 GMT 2025 , Edited by admin on Mon Mar 31 19:08:59 GMT 2025
Code System Code Type Description
JECFA MONOGRAPH
116
Created by admin on Mon Mar 31 19:08:59 GMT 2025 , Edited by admin on Mon Mar 31 19:08:59 GMT 2025
PRIMARY
PUBCHEM
61922
Created by admin on Mon Mar 31 19:08:59 GMT 2025 , Edited by admin on Mon Mar 31 19:08:59 GMT 2025
PRIMARY
CAS
34047-39-7
Created by admin on Mon Mar 31 19:08:59 GMT 2025 , Edited by admin on Mon Mar 31 19:08:59 GMT 2025
PRIMARY
FDA UNII
5703W1O1AB
Created by admin on Mon Mar 31 19:08:59 GMT 2025 , Edited by admin on Mon Mar 31 19:08:59 GMT 2025
PRIMARY
ECHA (EC/EINECS)
251-810-8
Created by admin on Mon Mar 31 19:08:59 GMT 2025 , Edited by admin on Mon Mar 31 19:08:59 GMT 2025
PRIMARY
EPA CompTox
DTXSID4067808
Created by admin on Mon Mar 31 19:08:59 GMT 2025 , Edited by admin on Mon Mar 31 19:08:59 GMT 2025
PRIMARY