769143-70-6
4-BUTOXYBENZALDEHYDE N-(3-METHYLPHENYL)THIOSEMICARBAZONE
Name4-BUTOXYBENZALDEHYDE N-(3-METHYLPHENYL)THIOSEMICARBAZONE
1Identification
【Name】
4-BUTOXYBENZALDEHYDE N-(3-METHYLPHENYL)THIOSEMICARBAZONE
【CAS】
【MDL】
MFCD06199430
【English Synonyms】
【Formula】
C19 H23 N3 O S
【MolWeight】
341.477
【Inchi】
InChI=1S/C19H23N3OS/c1-3-4-12-23-18-10-8-16(9-11-18)14-20-22-19(24)21-17-7-5-6-15(2)13-17/h5-11,13-14H,3-4,12H2,1-2H3,(H2,21,22,24)/b20-14+
【InChIKey】
InChIKey=FBWCDJDQWBYOLK-XSFVSMFZSA-N
【SMILES】
CCCCOc1ccc(cc1)/C=N/NC(=S)Nc2cccc(c2)C
【MOL File】
4-BUTOXYBENZALDEHYDE….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-BUTOXYBENZALDEHYDE N-(3-METHYLPHENYL)THIOSEMICARBAZONE.cml