1392425-87-4
3-(4-(2-isothiocyanatocyclopropyl)phenyl)-1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazole
Name3-(4-(2-isothiocyanatocyclopropyl)phenyl)-1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazole
1Identification
【Name】
3-(4-(2-isothiocyanatocyclopropyl)phenyl)-1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazole
【CAS】
【MDL】
【English Synonyms】
【Formula】
C19H13F3N4OS
【MolWeight】
402.393
【Inchi】
InChI=1S/C19H13F3N4OS/c20-19(21,22)27-15-7-5-14(6-8-15)26-10-23-18(25-26)13-3-1-12(2-4-13)16-9-17(16)24-11-28/h1-8,10,16-17H,9H2
【InChIKey】
InChIKey=DKVRQJWBOPMQSS-UHFFFAOYSA-N
【SMILES】
N(=C=S)C1C(C1)C1=CC=C(C=C1)C1=NN(C=N1)C1=CC=C(C=C1)OC(F)(F)F
【MOL File】
3-(4-(2-isothiocyana….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
3-(4-(2-isothiocyanatocyclopropyl)phenyl)-1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazole.cml