Cycloalliin
[CAS# 455-41-4]

Identification

• Name: Cycloalliin
• Synonyms: (5S)-1-Keto-5-Methyl-1,4-Thiazinane-2-Carboxylic Acid; 3-Methyl-1,4-Thiazane-5-Carboxylic Acid-1-Oxide; 3-Thiomorpholinecarboxylic Acid, 5-Methyl-, 1-Oxide, (1S-(1Alpha,3Beta,5Beta))-
• Molecular Formula: C₆H₁₁NO₃S
• Molecular Weight: 177.22
• CAS Registry Number: 455-41-4
• SMILES: [C@H]1(NCC([S](C1)=O)C(=O)O)C
• InChI: 1S/C6H11NO3S/c1-4-3-11(10)5(2-7-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5?,11?/m0/s1
• InChIKey: BJXNDKXAOJNGDY-GMNDVQPSSA-N

Properties

• Density: 1.432g/cm³ (Cal.)
• Boiling point: 462.552°C at 760 mmHg (Cal.)
• Flash point: 233.543°C (Cal.)