(3aR,5aS,9aS)-Hexahydro-5aH-[1]benzothieno[3,3a-d][1,3]oxazol-2(3H)-one
[CAS# 677347-83-0]

Identification

• Name: (3aR,5aS,9aS)-Hexahydro-5aH-[1]benzothieno[3,3a-d][1,3]oxazol-2(3H)-one
• Synonyms: (3aR,5aS,9aS)-octahydro-2H-benzo[4,5]thieno[3,4-d]oxazol-2-one
• Molecular Formula: C₉H₁₃NO₂S
• Molecular Weight: 199.27
• CAS Registry Number: 677347-83-0
• SMILES: C1CC[C@@]23[C@H](C1)SC[C@@H]2NC(=O)O3
• InChI: 1S/C9H13NO2S/c11-8-10-6-5-13-7-3-1-2-4-9(6,7)12-8/h6-7H,1-5H2,(H,10,11)/t6-,7-,9-/m0/s1
• InChIKey: CSCLLCUALQGRST-ZKWXMUAHSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 466.6±34.0°C at 760 mmHg (Cal.)
• Flash point: 236.0±25.7°C (Cal.)
• Refractive index: 1.606 (Cal.)