832739-64-7
2-([5-(4-BROMOPHENYL)-4-METHYL-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETOHYDRAZIDE
Name2-([5-(4-BROMOPHENYL)-4-METHYL-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETOHYDRAZIDE
1Identification
【Name】
2-([5-(4-BROMOPHENYL)-4-METHYL-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETOHYDRAZIDE
【CAS】
【MDL】
MFCD03423226
【English Synonyms】
【Formula】
C11 H12 Br N5 O S
【MolWeight】
342.22
【Inchi】
InChI=1S/C11H12BrN5OS/c1-17-10(7-2-4-8(12)5-3-7)15-16-11(17)19-6-9(18)14-13/h2-5H,6,13H2,1H3,(H,14,18)
【InChIKey】
InChIKey=AUAKFAXSFVZVNJ-UHFFFAOYSA-N
【SMILES】
Cn1c(nnc1SCC(=O)NN)c2ccc(cc2)Br
【MOL File】
2-([5-(4-BROMOPHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-([5-(4-BROMOPHENYL)-4-METHYL-4H-1,2,4-TRIAZOL-3-YL]THIO)ACETOHYDRAZIDE.cml