1533424-94-0
2-tert-butyl-4-isothiocyanatobenzonitrile
Name2-tert-butyl-4-isothiocyanatobenzonitrile
1Identification
【Name】
2-tert-butyl-4-isothiocyanatobenzonitrile
【CAS】
【MDL】
【English Synonyms】
【Formula】
C12H12N2S
【MolWeight】
216.302
【Inchi】
InChI=1S/C12H12N2S/c1-12(2,3)11-6-10(14-8-15)5-4-9(11)7-13/h4-6H,1-3H3
【InChIKey】
InChIKey=AVOZHXIYFJIZGI-UHFFFAOYSA-N
【SMILES】
C(C)(C)(C)C1=C(C#N)C=CC(=C1)N=C=S
【MOL File】
2-tert-butyl-4-isoth….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-tert-butyl-4-isothiocyanatobenzonitrile.cml