58064-57-6
5-(2-BROMOPHENYL)-4-METHYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
Name5-(2-BROMOPHENYL)-4-METHYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
1Identification
【Name】
5-(2-BROMOPHENYL)-4-METHYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE
【CAS】
【MDL】
MFCD03407472
【English Synonyms】
【Formula】
C9 H8 Br N3 S
【MolWeight】
270.153
【Inchi】
InChI=1S/C9H8BrN3S/c1-13-8(11-12-9(13)14)6-4-2-3-5-7(6)10/h2-5H,1H3,(H,12,14)
【InChIKey】
InChIKey=YCYXELBWIYJJNP-UHFFFAOYSA-N
【SMILES】
Cn1c(nnc1S)c2ccccc2Br
【MOL File】
5-(2-BROMOPHENYL)-4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(2-BROMOPHENYL)-4-METHYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOLE-3-THIONE.cml