1533425-11-4
4-isothiocyanato-2-(trifluoromethylsulfonyl)benzonitrile
Name4-isothiocyanato-2-(trifluoromethylsulfonyl)benzonitrile
1Identification
【Name】
4-isothiocyanato-2-(trifluoromethylsulfonyl)benzonitrile
【CAS】
【MDL】
【English Synonyms】
【Formula】
C9H3F3N2O2S2
【MolWeight】
292.258
【Inchi】
InChI=1S/C9H3F3N2O2S2/c10-9(11,12)18(15,16)8-3-7(14-5-17)2-1-6(8)4-13/h1-3H
【InChIKey】
InChIKey=CBGQYWGLZAEFES-UHFFFAOYSA-N
【SMILES】
N(=C=S)C1=CC(=C(C#N)C=C1)S(=O)(=O)C(F)(F)F
【MOL File】
4-isothiocyanato-2-(….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
4-isothiocyanato-2-(trifluoromethylsulfonyl)benzonitrile.cml