767314-13-6
4-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PH 2-THIOPHENECARBOXYLATE
Name4-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PH 2-THIOPHENECARBOXYLATE
FormulaC19 H14 Cl N3 O2 S2
1Identification
【Name】
4-(2-((3-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PH 2-THIOPHENECARBOXYLATE
【CAS】
【MDL】
MFCD05720773
【English Synonyms】
【Formula】
C19 H14 Cl N3 O2 S2
【MolWeight】
415.924
【Inchi】
InChI=1S/C19H14ClN3O2S2/c20-14-3-1-4-15(11-14)22-19(26)23-21-12-13-6-8-16(9-7-13)25-18(24)17-5-2-10-27-17/h1-12H,(H2,22,23,26)/b21-12+
【InChIKey】
InChIKey=DVBCAVPQSOFYFC-CIAFOILYSA-N
【SMILES】
c1cc(cc(c1)Cl)NC(=S)N/N=C/c2ccc(cc2)OC(=O)c3cccs3
【MOL File】
4-(2-((3-CHLOROANILI….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-CHLOROANILINO)CARBOTHIOYL)CARBOHYDRAZONOYL)PH 2-THIOPHENECARBOXYLATE.cml