O,O-Diethyl O-[2-(2-Hydroxy-2-Propanyl)-6-Methyl-4-Pyrimidinyl] Phosphorothioate
[CAS# 29820-16-4]

Identification

• Name: O,O-Diethyl O-[2-(2-Hydroxy-2-Propanyl)-6-Methyl-4-Pyrimidinyl] Phosphorothioate
• Synonyms: Hydroxydiazinone; O,O-Diethyl o-[2-(1-hydroxy-1-methylethyl)-6-methyl-4-pyrimidinyl] thiophosphate #; phosphorothioic acid, O,O-diethyl O-(1-hydroxy-2-isopropyl-6-methylpyrimidin-4-yl) ester
• Molecular Formula: C₁₂H₂₁N₂O₄PS
• Molecular Weight: 320.34
• CAS Registry Number: 29820-16-4
• SMILES: S=P(OCC)(OCC)Oc1nc(nc(c1)C)C(O)(C)C
• InChI: 1S/C12H21N2O4PS/c1-6-16-19(20,17-7-2)18-10-8-9(3)13-11(14-10)12(4,5)15/h8,15H,6-7H2,1-5H3
• InChIKey: OZYAOPOQPFWGIH-UHFFFAOYSA-N

Properties

• Density: 1.241g/cm³ (Cal.)
• Boiling point: 390.467°C at 760 mmHg (Cal.)
• Flash point: 189.948°C (Cal.)
• Refractive index: 1.538 (Cal.)