2,2-Dimethylpropyl methanesulfinate
Basic information
- CAS
31401-20-4- Standard SMILES
CS(=O)OCC(C)(C)C- InChIKey
GSBGJESRYYSADP-UHFFFAOYSA-N- Molecular formula
- C6H14O2S
- Average molar mass
- 150.24 g/mol
- Monoisotopic mass
- 150.07145086
Names & identifiers
- Preferred name
- 2,2-Dimethylpropyl methanesulfinate
- IUPAC
- 2,2-dimethylpropyl methanesulfinate
Names & synonyms
2,2-Dimethylpropyl methanesulfinate31401-20-4DTXSID80557300
Database identifiers
- CAS
31401-20-4- PubChem CID
- 14200799
- DTXSID
DTXSID80557300
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 104
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Related reactions
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Compound notes
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