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2-Mercapto-3-pentanone

PropertiesImage
MNX_IDMNXM116810 Image of MNXM116810
referencechebi:173444
formulaC5H10OS
global charge0
mol weight118.201
InChIKeyTWOGJUHCCNLYPC-UHFFFAOYSA-N
InChIInChI=1S/C5H10OS/c1-3-5(6)4(2)7/h4,7H,3H2,1-2H3
SMILESCCC(=O)C(C)S
MNX internals
InChI (mnx)InChI=1/C5H10OS/c1-3-5(6)4(2)7/h4,7H,3H2,1-2H3/t4? Image of MNXM116810
SMILES (mnx)[CH3:1][CH2:3][C:5]([CH:4]([CH3:2])[SH:7])=[O:6]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:173444
chebi:173444
TWOGJUHCCNLYPC-UHFFFAOYSA-N
2-Mercapto-3-pentanone
2-sulanylpentan-3-one
hmdb:HMDB0035171
TWOGJUHCCNLYPC-UHFFFAOYSA-N
2-Mercapto-3-pentanone
2-Sulphanylpentan-3-one
2-sulfanylpentan-3-one
3-Pentanone, 2-mercapto

hmdb:HMDB35171
secondary/obsolete/fantasy identifier