(4S,9aS)-4-Ethyl-4-Methylhexahydropyrrolo[1,2-d][1,4]Thiazepin-5(4H)-One
[CAS# 481047-13-6]

Identification

• Name: (4S,9aS)-4-Ethyl-4-Methylhexahydropyrrolo[1,2-d][1,4]Thiazepin-5(4H)-One
• Synonyms: (4S,9aS)-4-ethyl-4-methylhexahydropyrrolo[1,2-d][1,4]thiazepin-5(4H)-one
• Molecular Formula: C₁₁H₁₉NOS
• Molecular Weight: 213.34
• CAS Registry Number: 481047-13-6
• SMILES: O=C2N1CCC[C@H]1CCS[C@@]2(C)CC
• InChI: 1S/C11H19NOS/c1-3-11(2)10(13)12-7-4-5-9(12)6-8-14-11/h9H,3-8H2,1-2H3/t9-,11-/m0/s1
• InChIKey: GGNLYDGKZKRGPC-ONGXEEELSA-N

Properties

• Density: 1.113g/cm³ (Cal.)
• Boiling point: 343.5°C at 760 mmHg (Cal.)
• Flash point: 161.543°C (Cal.)
• Refractive index: 1.548 (Cal.)