140181-77-7
5-(3-CHLORO-BENZO[B]THIOPHEN-2-YL)-4-PHENYL-4H-[1,2,4]TRIAZOLE-3-THIOL
Name5-(3-CHLORO-BENZO[B]THIOPHEN-2-YL)-4-PHENYL-4H-[1,2,4]TRIAZOLE-3-THIOL
1Identification
【Name】
5-(3-CHLORO-BENZO[B]THIOPHEN-2-YL)-4-PHENYL-4H-[1,2,4]TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD03152338
【English Synonyms】
【Formula】
C16 H10 Cl N3 S2
【MolWeight】
343.861
【Inchi】
InChI=1S/C16H10ClN3S2/c17-13-11-8-4-5-9-12(11)22-14(13)15-18-19-16(21)20(15)10-6-2-1-3-7-10/h1-9H,(H,19,21)
【InChIKey】
InChIKey=OPMNWJPPCZDZHP-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)n2c(nnc2S)c3c(c4ccccc4s3)Cl
【MOL File】
5-(3-CHLORO-BENZO[B]….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(3-CHLORO-BENZO[B]THIOPHEN-2-YL)-4-PHENYL-4H-[1,2,4]TRIAZOLE-3-THIOL.cml