1562692-40-3
1-chloro-4-(4-isothiocyanatophenylsulfonyl)-2-(trifluoromethyl)benzene
Name1-chloro-4-(4-isothiocyanatophenylsulfonyl)-2-(trifluoromethyl)benzene
1Identification
【Name】
1-chloro-4-(4-isothiocyanatophenylsulfonyl)-2-(trifluoromethyl)benzene
【CAS】
【MDL】
【English Synonyms】
【Formula】
C14H7ClF3NO2S2
【MolWeight】
377.789
【Inchi】
InChI=1S/C14H7ClF3NO2S2/c15-13-6-5-11(7-12(13)14(16,17)18)23(20,21)10-3-1-9(2-4-10)19-8-22/h1-7H
【InChIKey】
InChIKey=FOTLYDRVDFFNIJ-UHFFFAOYSA-N
【SMILES】
ClC1=C(C=C(C=C1)S(=O)(=O)C1=CC=C(C=C1)N=C=S)C(F)(F)F
【MOL File】
1-chloro-4-(4-isothi….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
1-chloro-4-(4-isothiocyanatophenylsulfonyl)-2-(trifluoromethyl)benzene.cml