(2R,5R)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane] 3-oxide

Base Information

• Chemical Name: (2R,5R)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane] 3-oxide
• CAS No.: 124751-36-6
• Molecular Formula: C10H17NO2S
• Molecular Weight: 215.31248
• Mol file: 124751-36-6.mol

Synonyms:124751-36-6;rel-(2R,3S,3'R)-2-Methyl-1'-azaspiro[[1,3]oxathiolane-5,3'-bicyclo[2.2.2]octane] 3-oxide

Chemical Property of (2R,5R)-2-methylspiro[1,3-oxathiolane-5,3'-1-azabicyclo[2.2.2]octane] 3-oxide

Chemical Property:

• Melting Point: 100-103°C
• Boiling Point: 408.196oC at 760 mmHg
• Flash Point: 200.67oC
• PSA: 48.75000
• Density: 1.323g/cm3
• LogP: 1.37930
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 215.09799996
• Heavy Atom Count: 14
• Complexity: 275

Purity/Quality:

99% ^*data from raw suppliers

Cevimeline sulfoxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1OC2(CN3CCC2CC3)CS1=O
• Isomeric SMILES: C[C@@H]1O[C@]2(CN3CCC2CC3)CS1=O
• Uses: A metabolite of Cevimeline (C283500).