3-Methyl-3-Nitro-1-Oxothietane-2,4-Diol
[CAS# 10359-57-6]

Identification

• Name: 3-Methyl-3-Nitro-1-Oxothietane-2,4-Diol
• Synonyms: 3-Methyl-3-Nitro-1-Oxo-Thietane-2,4-Diol; 1-Keto-3-Methyl-3-Nitro-Thietane-2,4-Diol; 2-Nitro-2-Methyl Trimethylene Sulfite
• Molecular Formula: C₄H₇NO₅S
• Molecular Weight: 181.16
• CAS Registry Number: 10359-57-6
• SMILES: CC1([N+]([O-])=O)C([S](=O)C1O)O
• InChI: 1S/C4H7NO5S/c1-4(5(8)9)2(6)11(10)3(4)7/h2-3,6-7H,1H3
• InChIKey: QYTRQJVRZWHUCU-UHFFFAOYSA-N

Properties

• Density: 1.881g/cm³ (Cal.)
• Boiling point: 561.574°C at 760 mmHg (Cal.)
• Flash point: 293.43°C (Cal.)