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3-Mercapto-2-methylpentanal

PropertiesImage
MNX_IDMNXM117496 Image of MNXM117496
referencechebi:173357
formulaC6H12OS
global charge0
mol weight132.228
InChIKeyFSAGSGCELJTQFN-UHFFFAOYSA-N
InChIInChI=1S/C6H12OS/c1-3-6(8)5(2)4-7/h4-6,8H,3H2,1-2H3
SMILESCCC(S)C(C)C=O
MNX internals
InChI (mnx)InChI=1/C6H12OS/c1-3-6(8)5(2)4-7/h4-6,8H,3H2,1-2H3/t5?,6? Image of MNXM117496
SMILES (mnx)[CH3:1][CH2:3][CH:6]([CH:5]([CH3:2])[CH:4]=[O:7])[SH:8]
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:173357
chebi:173357
FSAGSGCELJTQFN-UHFFFAOYSA-N
3-Mercapto-2-methylpentanal
2-methyl-3-sulanylpentanal
hmdb:HMDB0035176
FSAGSGCELJTQFN-UHFFFAOYSA-N
3-Mercapto-2-methylpentanal
2-Methyl-3-sulphanylpentanal
2-methyl-3-sulfanylpentanal

hmdb:HMDB35176
secondary/obsolete/fantasy identifier