2-[(2-Cyanophenyl)Sulfanyl]Benzoic Acid
[CAS# 163725-12-0]

Identification

• Name: 2-[(2-Cyanophenyl)Sulfanyl]Benzoic Acid
• Synonyms: 2-(2-Cyanophenylthio)benzoic acid; 2-(2-CYANOPHENYLTHIO)BENZOICACID; 2-[(2-cyanophenyl)thio]benzoic acid
• Molecular Formula: C₁₄H₉NO₂S
• Molecular Weight: 255.29
• CAS Registry Number: 163725-12-0
• SMILES: C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)O
• InChI: 1S/C14H9NO2S/c15-9-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)14(16)17/h1-8H,(H,16,17)
• InChIKey: FMGHXZOIAXNGOL-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 423.7±30.0°C at 760 mmHg (Cal.)
• Flash point: 210.1±24.6°C (Cal.)
• Refractive index: 1.687 (Cal.)