8-Oxo-6,10-dithia-spiro[4.5]decane-7-carboxylic acid methyl ester

Base Information

• Chemical Name: 8-Oxo-6,10-dithia-spiro[4.5]decane-7-carboxylic acid methyl ester
• CAS No.: 864685-21-2
• Molecular Formula: C10H14 O3 S2
• Molecular Weight: 246.34636
• DSSTox Substance ID: DTXSID00592334
• Mol file: 864685-21-2.mol

Synonyms:864685-21-2;8-Oxo-6,10-dithia-spiro[4.5]decane-7-carboxylic acid methyl ester;DTXSID00592334;DB-307519;Methyl 8-oxo-6,10-dithiaspiro[4.5]decane-7-carboxylate

Chemical Property of 8-Oxo-6,10-dithia-spiro[4.5]decane-7-carboxylic acid methyl ester

Chemical Property:

• Boiling Point: 364.1±42.0 °C(Predicted)
• PKA: 8.89±0.20(Predicted)
• PSA: 93.97000
• Density: 1.32±0.1 g/cm3(Predicted)
• LogP: 1.84740
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 246.03843665
• Heavy Atom Count: 15
• Complexity: 284

Purity/Quality:

97% ^*data from raw suppliers

8-OXO-6,10-DITHIA-SPIRO[4.5]DECANE-7-CARBOXYLIC ACID METHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1C(=O)CSC2(S1)CCCC2