(2E)-3-[5-Hydroxy-6-methyl-4-(sulfanylmethyl)-3-pyridinyl]acrylic acid
[CAS# 785718-92-5]

Identification

• Name: (2E)-3-[5-Hydroxy-6-methyl-4-(sulfanylmethyl)-3-pyridinyl]acrylic acid
• Synonyms: (E)-3-(5-hydroxy-4-(mercaptomethyl)-6-methylpyridin-3-yl)acrylic acid
• Molecular Formula: C₁₀H₁₁NO₃S
• Molecular Weight: 225.26
• CAS Registry Number: 785718-92-5
• SMILES: CC1=NC=C(C(=C1O)CS)/C=C/C(=O)O
• InChI: 1S/C10H11NO3S/c1-6-10(14)8(5-15)7(4-11-6)2-3-9(12)13/h2-4,14-15H,5H2,1H3,(H,12,13)/b3-2+
• InChIKey: YTUJOIBANZSALF-NSCUHMNNSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 524.2±50.0°C at 760 mmHg (Cal.)
• Flash point: 270.8±30.1°C (Cal.)
• Refractive index: 1.674 (Cal.)