767320-39-8
4-((4-METHYLBENZYL)OXY)BENZALDEHYDE N-(4-FLUOROPHENYL)THIOSEMICARBAZONE
Name4-((4-METHYLBENZYL)OXY)BENZALDEHYDE N-(4-FLUOROPHENYL)THIOSEMICARBAZONE
1Identification
【Name】
4-((4-METHYLBENZYL)OXY)BENZALDEHYDE N-(4-FLUOROPHENYL)THIOSEMICARBAZONE
【CAS】
【MDL】
MFCD05154466
【English Synonyms】
【Formula】
C22 H20 F N3 O S
【MolWeight】
393.484
【Inchi】
InChI=1S/C22H20FN3OS/c1-16-2-4-18(5-3-16)15-27-21-12-6-17(7-13-21)14-24-26-22(28)25-20-10-8-19(23)9-11-20/h2-14H,15H2,1H3,(H2,25,26,28)/b24-14+
【InChIKey】
InChIKey=QWULSRLNXWONLE-ZVHZXABRSA-N
【SMILES】
Cc1ccc(cc1)COc2ccc(cc2)/C=N/NC(=S)Nc3ccc(cc3)F
【MOL File】
4-((4-METHYLBENZYL)O….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-((4-METHYLBENZYL)OXY)BENZALDEHYDE N-(4-FLUOROPHENYL)THIOSEMICARBAZONE.cml