2-[5-(3-Chlorophenyl)Sulfanyl-1,2-Dimethylimidazol-4-Yl]Propanoic Acid
[CAS# 178979-92-5]

Identification

• Name: 2-[5-(3-Chlorophenyl)Sulfanyl-1,2-Dimethylimidazol-4-Yl]Propanoic Acid
• Synonyms: 2-[5-(3-Chlorophenyl)Sulfanyl-1,2-Dimethyl-Imidazol-4-Yl]Propanoic Acid; 2-[5-[(3-Chlorophenyl)Thio]-1,2-Dimethyl-4-Imidazolyl]Propanoic Acid; 2-[5-[(3-Chlorophenyl)Thio]-1,2-Dimethyl-Imidazol-4-Yl]Propionic Acid
• Molecular Formula: C₁₄H₁₅ClN₂O₂S
• Molecular Weight: 310.80
• CAS Registry Number: 178979-92-5
• SMILES: C2=C(SC1=C(N=C([N]1C)C)C(C(=O)O)C)C=CC=C2Cl
• InChI: 1S/C14H15ClN2O2S/c1-8(14(18)19)12-13(17(3)9(2)16-12)20-11-6-4-5-10(15)7-11/h4-8H,1-3H3,(H,18,19)
• InChIKey: AQCZCMPLCFTXMO-UHFFFAOYSA-N

Properties

• Density: 1.338g/cm³ (Cal.)
• Boiling point: 503.641°C at 760 mmHg (Cal.)
• Flash point: 258.393°C (Cal.)