2-Ethoxy-5-(Methylsulfanyl)Nicotinic Acid
[CAS# 459833-81-9]

Identification

• Name: 2-Ethoxy-5-(Methylsulfanyl)Nicotinic Acid
• Synonyms: 2-ethoxy-5-(methylthio)nicotinic acid
• Molecular Formula: C₉H₁₁NO₃S
• Molecular Weight: 213.25
• CAS Registry Number: 459833-81-9
• SMILES: CCOc1ncc(cc1C(O)=O)SC
• InChI: 1S/C9H11NO3S/c1-3-13-8-7(9(11)12)4-6(14-2)5-10-8/h4-5H,3H2,1-2H3,(H,11,12)
• InChIKey: QVSHTMWUBTXETG-UHFFFAOYSA-N

Properties

• Density: 1.309g/cm³ (Cal.)
• Boiling point: 366.778°C at 760 mmHg (Cal.)
• Flash point: 175.621°C (Cal.)
• Refractive index: 1.583 (Cal.)