769146-29-4
4-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-THIOPHENECARBOXYLATE
Name4-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-THIOPHENECARBOXYLATE
1Identification
【Name】
4-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-THIOPHENECARBOXYLATE
【CAS】
【MDL】
MFCD05721111
【English Synonyms】
【Formula】
C20 H17 N3 O2 S2
【MolWeight】
395.505
【Inchi】
InChI=1S/C20H17N3O2S2/c1-14-4-2-5-16(12-14)22-20(26)23-21-13-15-7-9-17(10-8-15)25-19(24)18-6-3-11-27-18/h2-13H,1H3,(H2,22,23,26)/b21-13+
【InChIKey】
InChIKey=BIPDSTQIZJAIDY-FYJGNVAPSA-N
【SMILES】
Cc1cccc(c1)NC(=S)N/N=C/c2ccc(cc2)OC(=O)c3cccs3
【MOL File】
4-(2-(3-TOLUIDINOCAR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(3-TOLUIDINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-THIOPHENECARBOXYLATE.cml