764655-71-2
4-((4-CHLOROBENZYL)OXY)-3-ETHOXYBENZALDEHYDE N-(3-METHYLPHENYL)THIOSEMICARBAZONE
Name4-((4-CHLOROBENZYL)OXY)-3-ETHOXYBENZALDEHYDE N-(3-METHYLPHENYL)THIOSEMICARBAZONE
FormulaC24 H24 Cl N3 O2 S
1Identification
【Name】
4-((4-CHLOROBENZYL)OXY)-3-ETHOXYBENZALDEHYDE N-(3-METHYLPHENYL)THIOSEMICARBAZONE
【CAS】
【MDL】
MFCD05154630
【English Synonyms】
【Formula】
C24 H24 Cl N3 O2 S
【MolWeight】
453.992
【Inchi】
InChI=1S/C24H24ClN3O2S/c1-3-29-23-14-19(9-12-22(23)30-16-18-7-10-20(25)11-8-18)15-26-28-24(31)27-21-6-4-5-17(2)13-21/h4-15H,3,16H2,1-2H3,(H2,27,28,31)/b26-15+
【InChIKey】
InChIKey=KXVXTDPAKYOFCV-CVKSISIWSA-N
【SMILES】
CCOc1cc(ccc1OCc2ccc(cc2)Cl)/C=N/NC(=S)Nc3cccc(c3)C
【MOL File】
4-((4-CHLOROBENZYL)O….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-((4-CHLOROBENZYL)OXY)-3-ETHOXYBENZALDEHYDE N-(3-METHYLPHENYL)THIOSEMICARBAZONE.cml