769146-57-8
3-(BENZYLOXY)BENZALDEHYDE N-(4-METHOXYPHENYL)THIOSEMICARBAZONE
Name3-(BENZYLOXY)BENZALDEHYDE N-(4-METHOXYPHENYL)THIOSEMICARBAZONE
1Identification
【Name】
3-(BENZYLOXY)BENZALDEHYDE N-(4-METHOXYPHENYL)THIOSEMICARBAZONE
【CAS】
【MDL】
MFCD05721083
【English Synonyms】
【Formula】
C22 H21 N3 O2 S
【MolWeight】
391.493
【Inchi】
InChI=1S/C22H21N3O2S/c1-26-20-12-10-19(11-13-20)24-22(28)25-23-15-18-8-5-9-21(14-18)27-16-17-6-3-2-4-7-17/h2-15H,16H2,1H3,(H2,24,25,28)/b23-15+
【InChIKey】
InChIKey=PBSUIHZPJWCUKR-HZHRSRAPSA-N
【SMILES】
COc1ccc(cc1)NC(=S)N/N=C/c2cccc(c2)OCc3ccccc3
【MOL File】
3-(BENZYLOXY)BENZALD….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(BENZYLOXY)BENZALDEHYDE N-(4-METHOXYPHENYL)THIOSEMICARBAZONE.cml