Sodium S-{[5-Hydroxy-4-(Hydroxymethyl)-6-Methyl-3-Pyridinyl]Methyl} Hydrogen Phosphorothioate
[CAS# 51989-45-8]

Identification

• Name: Sodium S-{[5-Hydroxy-4-(Hydroxymethyl)-6-Methyl-3-Pyridinyl]Methyl} Hydrogen Phosphorothioate
• Synonyms: 4-Pyridinemethanol, 3-hydroxy-2-methyl-5-((phosphonothio)methyl)-, monosodium salt (9CI); Phosphorothioic acid, S-((5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl)methyl) ester, monosodium salt
• Molecular Formula: C₈H₁₁NNaO₅PS
• Molecular Weight: 287.21
• CAS Registry Number: 51989-45-8
• SMILES: [Na+].[O-]P(=O)(O)SCc1cnc(c(O)c1CO)C
• InChI: 1S/C8H12NO5PS.Na/c1-5-8(11)7(3-10)6(2-9-5)4-16-15(12,13)14;/h2,10-11H,3-4H2,1H3,(H2,12,13,14);/q;+1/p-1
• InChIKey: KXSGDBHXDHNGMY-UHFFFAOYSA-M

Properties

• Boiling point: 667°C at 760 mmHg (Cal.)
• Flash point: 357.2°C (Cal.)