2-Methyl-1-[(methylsulfanyl)methanesulfinyl]propane
Basic information
- CAS
69977-55-5- Standard SMILES
CSCS(=O)CC(C)C- InChIKey
ITDIUDBFGBUKSW-UHFFFAOYSA-N- Molecular formula
- C6H14OS2
- Average molar mass
- 166.3 g/mol
- Monoisotopic mass
- 166.04860741
Names & identifiers
- Preferred name
- 2-Methyl-1-[(methylsulfanyl)methanesulfinyl]propane
- IUPAC
- 2-methyl-1-(methylsulfanylmethylsulfinyl)propane
Names & synonyms
69977-55-5NSC3570342-Methyl-1-[(methylsulfanyl)methanesulfinyl]propaneDTXSID00320275NSC-3570342-methyl-1-(methylsulfanyl-methylsulfinyl)-propane
Database identifiers
- CAS
69977-55-5- PubChem CID
- 337793
- DTXSID
DTXSID00320275
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 91.1
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Compound notes
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