885268-56-4
5-(3,4-DIMETHYLPHENYL)[1,3]THIAZOLO[2,3-C][1,2,4]TRIAZOLE-3-THIOL
Name5-(3,4-DIMETHYLPHENYL)[1,3]THIAZOLO[2,3-C][1,2,4]TRIAZOLE-3-THIOL
1Identification
【Name】
5-(3,4-DIMETHYLPHENYL)[1,3]THIAZOLO[2,3-C][1,2,4]TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD06409330
【English Synonyms】
【Formula】
C12 H11 N3 S2
【MolWeight】
261.372
【Inchi】
InChI=1S/C12H11N3S2/c1-7-3-4-9(5-8(7)2)10-6-17-12-14-13-11(16)15(10)12/h3-6H,1-2H3,(H,13,16)
【InChIKey】
InChIKey=SIBLNPSSRLELJD-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1C)c2csc3n2c(nn3)S
【MOL File】
5-(3,4-DIMETHYLPHENY….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-(3,4-DIMETHYLPHENYL)[1,3]THIAZOLO[2,3-C][1,2,4]TRIAZOLE-3-THIOL.cml