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1-Isothiocyanato-3-phenylpropane

PropertiesImage
MNX_IDMNXM115961 Image of MNXM115961
referencechebi:173819
formulaC10H11NS
global charge0
mol weight177.272
InChIKeyGRUOGLPIAPZLHJ-UHFFFAOYSA-N
InChIInChI=1S/C10H11NS/c12-9-11-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2
SMILESS=C=NCCCC1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C10H11NS/c12-9-11-8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2 Image of MNXM115961
SMILES (mnx)[CH:1]1=[CH:2][CH:5]=[C:10]([CH2:7][CH2:4][CH2:8][N:11]=[C:9]=[S:12])[CH:6]=[CH:3]1
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:173819
chebi:173819
GRUOGLPIAPZLHJ-UHFFFAOYSA-N 		1-Isothiocyanato-3-phenylpropane
3-isothiocyanatopropylbenzene
hmdb:HMDB0038444
GRUOGLPIAPZLHJ-UHFFFAOYSA-N 		1-Isothiocyanato-3-phenylpropane
(3-Isothiocyanatopropyl)-benzene
(3-Isothiocyanatopropyl)benzene
(3-Isothiocyanatopropyl)benzene, 9ci
(3-isothiocyanatopropyl)benzene
3-Phenylpropyl isothiocyanate
3-Phenylpropyl isothiocynate
3phenylpropylisothiocyanate
Isothiocyanic acid 3-phenylpropyl ester
Phenylpropyl isothiocyanate
Ppitc

hmdb:HMDB38444 		secondary/obsolete/fantasy identifier