266337-73-9
5-(2-CHLORO-6-METHYLPYRIMIDIN-4-YL)-4-(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-(2-CHLORO-6-METHYLPYRIMIDIN-4-YL)-4-(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
5-(2-CHLORO-6-METHYLPYRIMIDIN-4-YL)-4-(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD00728927
【English Synonyms】
【Formula】
C13 H9 Cl2 N5 S
【MolWeight】
338.221
【Inchi】
InChI=1S/C13H9Cl2N5S/c1-7-6-10(17-12(15)16-7)11-18-19-13(21)20(11)9-4-2-8(14)3-5-9/h2-6H,1H3,(H,19,21)
【InChIKey】
InChIKey=PFFSMZNBTTUIHZ-UHFFFAOYSA-N
【SMILES】
Cc1cc(nc(n1)Cl)c2nnc(n2c3ccc(cc3)Cl)S
【MOL File】
5-(2-CHLORO-6-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(2-CHLORO-6-METHYLPYRIMIDIN-4-YL)-4-(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL.cml