765913-09-5
4-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
Name4-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
FormulaC22 H17 Cl2 N3 O2 S
1Identification
【Name】
4-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE
【CAS】
【MDL】
MFCD05154536
【English Synonyms】
【Formula】
C22 H17 Cl2 N3 O2 S
【MolWeight】
458.367
【Inchi】
InChI=1S/C22H17Cl2N3O2S/c1-14-3-2-4-17(11-14)26-22(30)27-25-13-15-5-8-18(9-6-15)29-21(28)19-10-7-16(23)12-20(19)24/h2-13H,1H3,(H2,26,27,30)/b25-13+
【InChIKey】
InChIKey=UFVRXPQYLXYDIR-DHRITJCHSA-N
【SMILES】
Cc1cccc(c1)NC(=S)N/N=C/c2ccc(cc2)OC(=O)c3ccc(cc3Cl)Cl
【MOL File】
4-(2-(3-TOLUIDINOCAR….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
4-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2,4-DICHLOROBENZOATE.cml