2-[(2,5-Dimethoxyphenyl)Sulfanyl]Nicotinic Acid
[CAS# 175135-77-0]

Identification

• Name: 2-[(2,5-Dimethoxyphenyl)Sulfanyl]Nicotinic Acid
• Synonyms: 2-(2,5-DIMETHOXYPHENYLTHIO)PYRIDINE-3-CARBOXYLICACID; Maybridge3_000624
• Molecular Formula: C₁₄H₁₃NO₄S
• Molecular Weight: 291.32
• CAS Registry Number: 175135-77-0
• SMILES: O=C(O)c2cccnc2Sc1c(OC)ccc(OC)c1
• InChI: 1S/C14H13NO4S/c1-18-9-5-6-11(19-2)12(8-9)20-13-10(14(16)17)4-3-7-15-13/h3-8H,1-2H3,(H,16,17)
• InChIKey: XCMCGMQCBXMWIX-UHFFFAOYSA-N

Properties

• Density: 1.374g/cm³ (Cal.)
• Boiling point: 459.247°C at 760 mmHg (Cal.)
• Flash point: 231.544°C (Cal.)
• Refractive index: 1.639 (Cal.)