2-Chloro-5-({[(2E)-3-Phenyl-2-Propenoyl]Carbamothioyl}Amino)Benzoic Acid
[CAS# 433948-84-6]

Identification

• Name: 2-Chloro-5-({[(2E)-3-Phenyl-2-Propenoyl]Carbamothioyl}Amino)Benzoic Acid
• Synonyms: 2-chloro-5-({[(2E)-3-phenylprop-2-enoyl]carbamothioyl}amino)benzoic acid; 2-chloro-5-{[(cinnamoylamino)carbonothioyl]amino}benzoic acid
• Molecular Formula: C₁₇H₁₃ClN₂O₃S
• Molecular Weight: 360.81
• CAS Registry Number: 433948-84-6
• SMILES: O=C(O)c1cc(ccc1Cl)NC(=S)NC(=O)\C=C\c2ccccc2
• InChI: 1S/C17H13ClN2O3S/c18-14-8-7-12(10-13(14)16(22)23)19-17(24)20-15(21)9-6-11-4-2-1-3-5-11/h1-10H,(H,22,23)(H2,19,20,21,24)/b9-6+
• InChIKey: GIZRLDQIHNGUBJ-RMKNXTFCSA-N

Properties

• Density: 1.466g/cm³ (Cal.)
• Refractive index: 1.734 (Cal.)