20158-15-0
4-HYDROXY-3-METHOXYBENZALDEHYDE N-PHENYLTHIOSEMICARBAZONE
Name4-HYDROXY-3-METHOXYBENZALDEHYDE N-PHENYLTHIOSEMICARBAZONE
1Identification
【Name】
4-HYDROXY-3-METHOXYBENZALDEHYDE N-PHENYLTHIOSEMICARBAZONE
【CAS】
【MDL】
MFCD01003269
【English Synonyms】
【Formula】
C15 H15 N3 O2 S
【MolWeight】
301.368
【Inchi】
InChI=1S/C15H15N3O2S/c1-20-14-9-11(7-8-13(14)19)10-16-18-15(21)17-12-5-3-2-4-6-12/h2-10,19H,1H3,(H2,17,18,21)/b16-10+
【InChIKey】
InChIKey=JWLFZGSWRRLBAH-MHWRWJLKSA-N
【SMILES】
COc1cc(ccc1O)/C=N/NC(=S)Nc2ccccc2
【MOL File】
4-HYDROXY-3-METHOXYB….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-HYDROXY-3-METHOXYBENZALDEHYDE N-PHENYLTHIOSEMICARBAZONE.cml