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Details

Stereochemistry ACHIRAL
Molecular Formula C6H12OS
Molecular Weight 132.224
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(METHYLTHIO)-3-PENTANONE

SMILES

CCC(=O)CCSC

InChI

InChIKey=LEZZIANNWFYCND-UHFFFAOYSA-N
InChI=1S/C6H12OS/c1-3-6(7)4-5-8-2/h3-5H2,1-2H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1-(METHYLTHIO)-3-PENTANONE
Systematic Name English
ETHYL 2-(METHYLTHIO)ETHYL KETONE
Systematic Name English
3-PENTANONE, 1-(METHYLTHIO)-
Systematic Name English
1-(METHYLTHIO)PENTAN-3-ONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80334890
Created by admin on Sat Dec 16 10:10:31 GMT 2023 , Edited by admin on Sat Dec 16 10:10:31 GMT 2023
PRIMARY
CAS
66735-69-1
Created by admin on Sat Dec 16 10:10:31 GMT 2023 , Edited by admin on Sat Dec 16 10:10:31 GMT 2023
PRIMARY
PUBCHEM
522224
Created by admin on Sat Dec 16 10:10:31 GMT 2023 , Edited by admin on Sat Dec 16 10:10:31 GMT 2023
PRIMARY
FDA UNII
1D904C7W5B
Created by admin on Sat Dec 16 10:10:31 GMT 2023 , Edited by admin on Sat Dec 16 10:10:31 GMT 2023
PRIMARY
NIH
NCATS
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