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Isobutyl isothiocyanate

PropertiesImage
MNX_IDMNXM126803 Image of MNXM126803
referencehmdb:HMDB0032345
formulaC5H9NS
global charge0
mol weight115.201
InChIKeyNSDDRJXKROCWRZ-UHFFFAOYSA-N
InChIInChI=1S/C5H9NS/c1-5(2)3-6-4-7/h5H,3H2,1-2H3
SMILESCC(C)CN=C=S
MNX internals
InChI (mnx)InChI=1/C5H9NS/c1-5(2)3-6-4-7/h5H,3H2,1-2H3 Image of MNXM126803
SMILES (mnx)[CH3:1][CH:5]([CH3:2])[CH2:3][N:6]=[C:4]=[S:7]
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
hmdb:HMDB0032345
NSDDRJXKROCWRZ-UHFFFAOYSA-N 		Isobutyl isothiocyanate
1-isothiocyanato-2-Methyl-propane
1-isothiocyanato-2-Methylpropane
1-isothiocyanato-2-methylpropane
2-Methylpropyl isothiocyanate
I-butyl isothiocyanate
Isobutyl isothiocyanic acid
Isothiocyanic acid, isobutyl ester
Propane, 1-isothiocyanato-2-methyl- (9ci)
Thiocyanic acid, 2-methylpropyl ester

hmdb:HMDB32345 		secondary/obsolete/fantasy identifier