724749-07-9
4-METHYL-5-([3-(TRIFLUOROMETHYL)PHENOXY]METHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
Name4-METHYL-5-([3-(TRIFLUOROMETHYL)PHENOXY]METHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
4-METHYL-5-([3-(TRIFLUOROMETHYL)PHENOXY]METHYL)-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD04059082
【English Synonyms】
【Formula】
C11 H10 F3 N3 O S
【MolWeight】
289.28
【Inchi】
InChI=1S/C11H10F3N3OS/c1-17-9(15-16-10(17)19)6-18-8-4-2-3-7(5-8)11(12,13)14/h2-5H,6H2,1H3,(H,16,19)
【InChIKey】
InChIKey=JAZIJYVOLZZRKK-UHFFFAOYSA-N
【SMILES】
Cn1c(nnc1S)COc2cccc(c2)C(F)(F)F
【MOL File】
4-METHYL-5-([3-(TRIF….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYL-5-([3-(TRIFLUOROMETHYL)PHENOXY]METHYL)-4H-1,2,4-TRIAZOLE-3-THIOL.cml