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benzyl isothiocyanate

PropertiesImage
MNX_IDMNXM3923 Image of MNXM3923
referencechebi:17484
formulaC8H7NS
global charge0
mol weight149.218
InChIKeyMDKCFLQDBWCQCV-UHFFFAOYSA-N
InChIInChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
SMILESS=C=NCC1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2 Image of MNXM3923
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:8]([CH2:6][N:9]=[C:7]=[S:10])[CH:5]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:17484
chebi:17484
MDKCFLQDBWCQCV-UHFFFAOYSA-N
benzyl isothiocyanate
(isothiocyanatomethyl)benzene
Benzyl isothiocyanate
Benzylsenfoel
Isothiocyanic acid, benzyl ester
alpha-isothiocyanatotoluene

sabiork.compound:6450
sabiorkM:6450
kegg.compound:C03098
keggC:C03098
MDKCFLQDBWCQCV-UHFFFAOYSA-N
Benzyl isothiocyanate
hmdb:HMDB0033969
MDKCFLQDBWCQCV-UHFFFAOYSA-N
Benzyl isothiocyanate
(Isothiocyanatomethyl)-benzene
(Isothiocyanatomethyl)benzene
(Isothiocyanatomethyl)benzene, 9ci
(isothiocyanatomethyl)benzene
3-Benzylisothiocyanic acid
AB 2
Benzyl isothio cyanate
Benzyl isothiocyanic acid
Benzyl mustard oil
Benzyl-isothiocyanate
Benzylisothiocyanate
Benzylsenfoel
Isothiocyanate, benzyl ester
Isothiocyanato-methyl-benzene
Isothiocyanic acid benzyl ester
Isothiocyanic acid, benzyl ester
Isothiocyanotaomethylbenzene
Phenylmethyl isothiocyanate
Pmitc CPD
Tromacaps
Tromalyt
Tromalyt active substance
Tromocaps
Urogran
a-Isothiocyanatotoluene
alpha-Isothiocyanato-toluene
alpha-Isothiocyanatotoluene
alpha-isothiocyanatotoluene
benzyl isothiocyanate

seed.compound:cpd01989
seedM:cpd01989
MDKCFLQDBWCQCV-UHFFFAOYSA-N
Benzyl isothiocyanate
benzylisothiocyanate

metacyc.compound:BENZYL-ISOTHIOCYANATE
metacycM:BENZYL-ISOTHIOCYANATE
MDKCFLQDBWCQCV-UHFFFAOYSA-N
benzylisothiocyanate

hmdb:HMDB33969
chebi:13889
chebi:22745
chebi:3054
keggC:M_C03098
seedM:M_cpd01989
secondary/obsolete/fantasy identifier