70161-62-5
4-HYDROXY-3-METHOXYBENZALDEHYDE N-(3-CHLOROPHENYL)THIOSEMICARBAZONE
Name4-HYDROXY-3-METHOXYBENZALDEHYDE N-(3-CHLOROPHENYL)THIOSEMICARBAZONE
FormulaC15 H14 Cl N3 O2 S
1Identification
【Name】
4-HYDROXY-3-METHOXYBENZALDEHYDE N-(3-CHLOROPHENYL)THIOSEMICARBAZONE
【CAS】
【MDL】
MFCD06199648
【English Synonyms】
【Formula】
C15 H14 Cl N3 O2 S
【MolWeight】
335.814
【Inchi】
InChI=1S/C15H14ClN3O2S/c1-21-14-7-10(5-6-13(14)20)9-17-19-15(22)18-12-4-2-3-11(16)8-12/h2-9,20H,1H3,(H2,18,19,22)/b17-9+
【InChIKey】
InChIKey=WDUDFVVUUXRSPR-RQZCQDPDSA-N
【SMILES】
COc1cc(ccc1O)/C=N/NC(=S)Nc2cccc(c2)Cl
【MOL File】
4-HYDROXY-3-METHOXYB….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-HYDROXY-3-METHOXYBENZALDEHYDE N-(3-CHLOROPHENYL)THIOSEMICARBAZONE.cml