767338-86-3
4-BUTOXYBENZALDEHYDE N-(3-CHLOROPHENYL)THIOSEMICARBAZONE
Name4-BUTOXYBENZALDEHYDE N-(3-CHLOROPHENYL)THIOSEMICARBAZONE
1Identification
【Name】
4-BUTOXYBENZALDEHYDE N-(3-CHLOROPHENYL)THIOSEMICARBAZONE
【CAS】
【MDL】
MFCD06199531
【English Synonyms】
【Formula】
C18 H20 Cl N3 O S
【MolWeight】
361.895
【Inchi】
InChI=1S/C18H20ClN3OS/c1-2-3-11-23-17-9-7-14(8-10-17)13-20-22-18(24)21-16-6-4-5-15(19)12-16/h4-10,12-13H,2-3,11H2,1H3,(H2,21,22,24)/b20-13+
【InChIKey】
InChIKey=CMGYZEBUFSUFFQ-DEDYPNTBSA-N
【SMILES】
CCCCOc1ccc(cc1)/C=N/NC(=S)Nc2cccc(c2)Cl
【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-CHLOROPHENYL)THIOSEMICARBAZONE.cml