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1-Isothiocyanato-7-(methylthio)heptane

PropertiesImage
MNX_IDMNXM115966 Image of MNXM115966
referencechebi:180375
formulaC9H17NS2
global charge0
mol weight203.376
InChIKeyLDIRGNDMTOGVRB-UHFFFAOYSA-N
InChIInChI=1S/C9H17NS2/c1-12-8-6-4-2-3-5-7-10-9-11/h2-8H2,1H3
SMILESCSCCCCCCCN=C=S
MNX internals
InChI (mnx)InChI=1/C9H17NS2/c1-12-8-6-4-2-3-5-7-10-9-11/h2-8H2,1H3 Image of MNXM115966
SMILES (mnx)[CH3:1][S:12][CH2:8][CH2:6][CH2:4][CH2:2][CH2:3][CH2:5][CH2:7][N:10]=[C:9]=[S:11]
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:180375
chebi:180375
LDIRGNDMTOGVRB-UHFFFAOYSA-N 		1-Isothiocyanato-7-(methylthio)heptane
1-isothiocyanato-7-methylsulanylheptane
hmdb:HMDB0038440
LDIRGNDMTOGVRB-UHFFFAOYSA-N 		1-Isothiocyanato-7-(methylthio)heptane
1-Isothiocyanato-7-(methylsulphanyl)heptane
1-isothiocyanato-7-(methylsulfanyl)heptane
7-(methylthio)Heptyl isothiocyanate

hmdb:HMDB38440 		secondary/obsolete/fantasy identifier