6-[4-(Ethylsulfanyl)phenyl]nicotinic acid
[CAS# 887976-40-1]

Identification

• Name: 6-[4-(Ethylsulfanyl)phenyl]nicotinic acid
• Synonyms: 3-PYRIDINECARBOXYLICACID, 6-[4-(ETHYLTHIO)PHENYL]-
• Molecular Formula: C₁₄H₁₃NO₂S
• Molecular Weight: 259.32
• CAS Registry Number: 887976-40-1
• SMILES: CCSc1ccc(cc1)c2ccc(cn2)C(=O)O
• InChI: 1S/C14H13NO2S/c1-2-18-12-6-3-10(4-7-12)13-8-5-11(9-15-13)14(16)17/h3-9H,2H2,1H3,(H,16,17)
• InChIKey: QJOYIZRRRCRKCM-UHFFFAOYSA-N

Properties

• Density: 1.296g/cm³ (Cal.)
• Boiling point: 451.057°C at 760 mmHg (Cal.)
• Flash point: 226.591°C (Cal.)
• Refractive index: 1.648 (Cal.)