1050434-40-6
[2-(3,5-dimethyl-phenyl)-1-(2,3-dimethyl-phenyl)-ethyl]-isothiocyanate
Name[2-(3,5-dimethyl-phenyl)-1-(2,3-dimethyl-phenyl)-ethyl]-isothiocyanate
1Identification
【Name】
[2-(3,5-dimethyl-phenyl)-1-(2,3-dimethyl-phenyl)-ethyl]-isothiocyanate
【CAS】
【MDL】
【English Synonyms】
【Formula】
C19H21NS
【MolWeight】
295.442
【Inchi】
InChI=1S/C19H21NS/c1-13-8-14(2)10-17(9-13)11-19(20-12-21)18-7-5-6-15(3)16(18)4/h5-10,19H,11H2,1-4H3
【InChIKey】
InChIKey=FYWSRFLHRAEGBA-UHFFFAOYSA-N
【SMILES】
CC=1C=C(C=C(C1)C)CC(C1=C(C(=CC=C1)C)C)N=C=S
【MOL File】
[2-(3,5-dimethyl-phe….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
[2-(3,5-dimethyl-phenyl)-1-(2,3-dimethyl-phenyl)-ethyl]-isothiocyanate.cml