112464-74-1
4-(4-trifluoromethylphenylthio)phenyl isothiocyanate
Name4-(4-trifluoromethylphenylthio)phenyl isothiocyanate
1Identification
【Name】
4-(4-trifluoromethylphenylthio)phenyl isothiocyanate
【CAS】
【MDL】
【English Synonyms】
【Formula】
C14H8F3NS2
【MolWeight】
311.345
【Inchi】
InChI=1S/C14H8F3NS2/c15-14(16,17)10-1-5-12(6-2-10)20-13-7-3-11(4-8-13)18-9-19/h1-8H
【InChIKey】
InChIKey=OMDPMZKHTJHGKY-UHFFFAOYSA-N
【SMILES】
FC(C1=CC=C(C=C1)SC1=CC=C(C=C1)N=C=S)(F)F
【MOL File】
4-(4-trifluoromethyl….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-(4-trifluoromethylphenylthio)phenyl isothiocyanate.cml