Basic information
- CAS
30571-73-4- Standard SMILES
CCCCCCCC(CC)SC- InChIKey
MSFFVJREQAFYLA-UHFFFAOYSA-N- Molecular formula
- C11H24S
- Average molar mass
- 188.38 g/mol
- Monoisotopic mass
- 188.15987194
Names & identifiers
- Preferred name
- 3-Methylsulfanyldecane
- IUPAC
- 3-methylsulfanyldecane
- English name
- 1-Ethyloctylmethyl sulfide
- Molecular formula
- C11H24S
- Molecular weight
- 188.37
Names & synonyms
1-Ethyloctylmethyl sulfide30571-73-43-methylsulfanyldecane3-(methylsulfanyl)decaneSulfide, 1-ethyloctyl methyl1-Ethyloctyl methyl sulfide #DTXSID60344078MSFFVJREQAFYLA-UHFFFAOYSA-NDB-312174Decane, 3-(methylthio)-
Database identifiers
- CAS
30571-73-4- PubChem CID
- 594331
- DTXSID
DTXSID60344078- Nikkaji
- J112.524I
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 8
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 81.1
Physicochemical properties
- Boiling point
- 240 · 240.0±8.0 °C(Predicted)
- Density
- 0.839 · 0.839±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…