2-[5-(5-Chloro-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid
[CAS# 84712-65-2]

Identification

• Name: 2-[5-(5-Chloro-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-3-phenylpropanoic acid
• Synonyms: α-benzyl-5-(5-chloro-1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-ylidene)-4-oxo-2-thioxothiazolidin-3-acetic acid
• Molecular Formula: C₂₁H₁₈ClN₃O₃S₂
• Molecular Weight: 459.97
• CAS Registry Number: 84712-65-2
• EINECS: 283-756-6
• SMILES: S=C2SC(C(=O)N2C(Cc1ccccc1)C(O)=O)=C4N(C)c3ccc(Cl)cc3N4C
• InChI: 1S/C21H18ClN3O3S2/c1-23-14-9-8-13(22)11-15(14)24(2)18(23)17-19(26)25(21(29)30-17)16(20(27)28)10-12-6-4-3-5-7-12/h3-9,11,16H,10H2,1-2H3,(H,27,28)
• InChIKey: CWYZKJWRWUSWHT-UHFFFAOYSA-N

Properties

• Density: 1.57g/cm³ (Cal.)
• Boiling point: 570.589°C at 760 mmHg (Cal.)
• Flash point: 298.882°C (Cal.)