97136-93-1
5-(BENZYLTHIO)-4-BROMO-2-PHENYLPYRIDAZIN-3(2H)-ONE
Name5-(BENZYLTHIO)-4-BROMO-2-PHENYLPYRIDAZIN-3(2H)-ONE
1Identification
【Name】
5-(BENZYLTHIO)-4-BROMO-2-PHENYLPYRIDAZIN-3(2H)-ONE
【CAS】
【MDL】
MFCD02179845
【English Synonyms】
【Formula】
C17 H13 Br N2 O S
【MolWeight】
373.273
【Inchi】
InChI=1S/C17H13BrN2OS/c18-16-15(22-12-13-7-3-1-4-8-13)11-19-20(17(16)21)14-9-5-2-6-10-14/h1-11H,12H2
【InChIKey】
InChIKey=VACGMGHLUBCNLK-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)CSc2cnn(c(=O)c2Br)c3ccccc3
【MOL File】
5-(BENZYLTHIO)-4-BRO….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-(BENZYLTHIO)-4-BROMO-2-PHENYLPYRIDAZIN-3(2H)-ONE.cml