769151-34-0
1-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2,4-DICHLOROBENZOATE
Name1-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2,4-DICHLOROBENZOATE
FormulaC26 H19 Cl2 N3 O2 S
1Identification
【Name】
1-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2,4-DICHLOROBENZOATE
【CAS】
【MDL】
MFCD05153695
【English Synonyms】
【Formula】
C26 H19 Cl2 N3 O2 S
【MolWeight】
508.427
【Inchi】
InChI=1S/C26H19Cl2N3O2S/c1-16-5-4-7-19(13-16)30-26(34)31-29-15-22-20-8-3-2-6-17(20)9-12-24(22)33-25(32)21-11-10-18(27)14-23(21)28/h2-15H,1H3,(H2,30,31,34)/b29-15+
【InChIKey】
InChIKey=ONWZNSQGPBDEDQ-WKULSOCRSA-N
【SMILES】
Cc1cccc(c1)NC(=S)N/N=C/c2c3ccccc3ccc2OC(=O)c4ccc(cc4Cl)Cl
【MOL File】
1-(2-(3-TOLUIDINOCAR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 2,4-DICHLOROBENZOATE.cml