92151-02-5
5-(2,4-DICHLOROPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-(2,4-DICHLOROPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
5-(2,4-DICHLOROPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD00298568
【English Synonyms】
【Formula】
C14 H9 Cl2 N3 S
【MolWeight】
322.218
【Inchi】
InChI=1S/C14H9Cl2N3S/c15-9-6-7-11(12(16)8-9)13-17-18-14(20)19(13)10-4-2-1-3-5-10/h1-8H,(H,18,20)
【InChIKey】
InChIKey=FZHHEYHBLWXVLF-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)n2c(nnc2S)c3ccc(cc3Cl)Cl
【MOL File】
5-(2,4-DICHLOROPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(2,4-DICHLOROPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL.cml