764656-84-0
1-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATE
Name1-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATE
1Identification
【Name】
1-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05154587
【English Synonyms】
【Formula】
C27 H23 N3 O3 S
【MolWeight】
469.563
【Inchi】
InChI=1S/C27H23N3O3S/c1-18-6-5-8-21(16-18)29-27(34)30-28-17-24-23-9-4-3-7-19(23)12-15-25(24)33-26(31)20-10-13-22(32-2)14-11-20/h3-17H,1-2H3,(H2,29,30,34)/b28-17+
【InChIKey】
InChIKey=PSHSVPMZDDAOSO-OGLMXYFKSA-N
【SMILES】
Cc1cccc(c1)NC(=S)N/N=C/c2c3ccccc3ccc2OC(=O)c4ccc(cc4)OC
【MOL File】
1-(2-(3-TOLUIDINOCAR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATE.cml