110623-37-5
2,4-DIHYDRO-2,4-DIMETHYL-5-(3-(TRIFLUOROMETHYL)PHENYL)-3H-1,2,4-TRIAZOLE-3-THIONE
Name2,4-DIHYDRO-2,4-DIMETHYL-5-(3-(TRIFLUOROMETHYL)PHENYL)-3H-1,2,4-TRIAZOLE-3-THIONE
1Identification
【Name】
2,4-DIHYDRO-2,4-DIMETHYL-5-(3-(TRIFLUOROMETHYL)PHENYL)-3H-1,2,4-TRIAZOLE-3-THIONE
【CAS】
【MDL】
MFCD01678508
【English Synonyms】
【Formula】
C11 H10 F3 N3 S
【MolWeight】
273.281
【Inchi】
InChI=1S/C11H10F3N3S/c1-16-9(15-17(2)10(16)18)7-4-3-5-8(6-7)11(12,13)14/h3-6H,1-2H3
【InChIKey】
InChIKey=ALAPIMRPRMCMEE-UHFFFAOYSA-N
【SMILES】
Cn1c(nn(c1=S)C)c2cccc(c2)C(F)(F)F
【MOL File】
2,4-DIHYDRO-2,4-DIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,4-DIHYDRO-2,4-DIMETHYL-5-(3-(TRIFLUOROMETHYL)PHENYL)-3H-1,2,4-TRIAZOLE-3-THIONE.cml