Basic information
- CAS
6079-57-8- Standard SMILES
CSCC(C)(C)C- InChIKey
YUFAJXXIXSYTMS-UHFFFAOYSA-N- Molecular formula
- C6H14S
- Average molar mass
- 118.24 g/mol
- Monoisotopic mass
- 118.08162162
Names & identifiers
- Preferred name
- Propane, 2,2-dimethyl-1-(methylthio)-
- IUPAC
- 2,2-dimethyl-1-methylsulfanylpropane
Names & synonyms
Propane, 2,2-dimethyl-1-(methylthio)-6079-57-8Methyl (2,2-dimethylpropyl) sulfide2,2-DIMETHYL-1-(METHYLSULFANYL)PROPANESCHEMBL87736SCHEMBL291855SCHEMBL8664732DTXSID902096212,2-dimethylpropyl methyl sulfideYUFAJXXIXSYTMS-UHFFFAOYSA-NAKOS006229861
Database identifiers
- CAS
6079-57-8- PubChem CID
- 138656
- DTXSID
DTXSID90209621- Nikkaji
- J1.541.051E
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 42.6
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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