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(E)-4-Isothiocyanato-1-(methylthio)-1-butene

PropertiesImage
MNX_IDMNXM115282 Image of MNXM115282
referencechebi:169136
formulaC6H9NS2
global charge0
mol weight159.279
InChIKeyRYSPJKHYSHFYEB-HYXAFXHYSA-N
InChIInChI=1S/C6H9NS2/c1-9-5-3-2-4-7-6-8/h3,5H,2,4H2,1H3/b5-3-
SMILESCS/C=C\CCN=C=S
MNX internals
InChI (mnx)InChI=1/C6H9NS2/c1-9-5-3-2-4-7-6-8/h3,5H,2,4H2,1H3/b5-3- Image of MNXM115282
SMILES (mnx)[CH3:1][S:9]/[CH:5]=[CH:3]\[CH2:2][CH2:4][N:7]=[C:6]=[S: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:169136
chebi:169136
RYSPJKHYSHFYEB-HYXAFXHYSA-N 		(E)-4-Isothiocyanato-1-(methylthio)-1-butene
(Z)-4-isothiocyanato-1-methylsulanylbut-1-ene
hmdb:HMDB0031576
RYSPJKHYSHFYEB-HYXAFXHYSA-N 		(E)-4-Isothiocyanato-1-(methylthio)-1-butene
(1Z)-4-Isothiocyanato-1-(methylsulphanyl)but-1-ene
(1Z)-4-isothiocyanato-1-(methylsulfanyl)but-1-ene

hmdb:HMDB31576 		secondary/obsolete/fantasy identifier