765913-10-8
1-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2,4-DICHLOROBENZOATE
Name1-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2,4-DICHLOROBENZOATE
FormulaC25 H17 Cl2 N3 O2 S
1Identification
【Name】
1-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2,4-DICHLOROBENZOATE
【CAS】
【MDL】
MFCD05154535
【English Synonyms】
【Formula】
C25 H17 Cl2 N3 O2 S
【MolWeight】
494.4
【Inchi】
InChI=1S/C25H17Cl2N3O2S/c26-17-11-12-20(22(27)14-17)24(31)32-23-13-10-16-6-4-5-9-19(16)21(23)15-28-30-25(33)29-18-7-2-1-3-8-18/h1-15H,(H2,29,30,33)/b28-15+
【InChIKey】
InChIKey=BUAGGBVUNIQQAM-RWPZCVJISA-N
【SMILES】
c1ccc(cc1)NC(=S)N/N=C/c2c3ccccc3ccc2OC(=O)c4ccc(cc4Cl)Cl
【MOL File】
1-(2-(ANILINOCARBOTH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2,4-DICHLOROBENZOATE.cml