767312-28-7
4-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-THIOPHENECARBOXYLATE
Name4-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-THIOPHENECARBOXYLATE
1Identification
【Name】
4-(2-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-THIOPHENECARBOXYLATE
【CAS】
【MDL】
MFCD05720807
【English Synonyms】
【Formula】
C19 H15 N3 O2 S2
【MolWeight】
381.478
【Inchi】
InChI=1S/C19H15N3O2S2/c23-18(17-7-4-12-26-17)24-16-10-8-14(9-11-16)13-20-22-19(25)21-15-5-2-1-3-6-15/h1-13H,(H2,21,22,25)/b20-13+
【InChIKey】
InChIKey=JHTKXQHRRXPHMQ-DEDYPNTBSA-N
【SMILES】
c1ccc(cc1)NC(=S)N/N=C/c2ccc(cc2)OC(=O)c3cccs3
【MOL File】
4-(2-(ANILINOCARBOTH….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-(ANILINOCARBOTHIOYL)CARBOHYDRAZONOYL)PHENYL 2-THIOPHENECARBOXYLATE.cml