Methyl (1-methylbutyl) sulfide
Basic information
- CAS
13286-91-4- Standard SMILES
CCCC(C)SC- InChIKey
WGBHWWSSUGCSCP-UHFFFAOYSA-N- Molecular formula
- C6H14S
- Average molar mass
- 118.24 g/mol
- Monoisotopic mass
- 118.08162162
Names & identifiers
- Preferred name
- Methyl (1-methylbutyl) sulfide
- IUPAC
- 2-methylsulfanylpentane
Names & synonyms
Methyl (1-methylbutyl) sulfide13286-91-43-METHYL-2-THIAHEXANE(1-methylbutyl) methyl sulfide2-(METHYLSULFANYL)PENTANESCHEMBL385044SCHEMBL386774SCHEMBL3942345SCHEMBL7962606SCHEMBL7962608DTXSID50335278WGBHWWSSUGCSCP-UHFFFAOYSA-N
Database identifiers
- CAS
13286-91-4- PubChem CID
- 524271
- DTXSID
DTXSID50335278- Nikkaji
- J1.541.050G
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 35.2
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Related reactions
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Compound notes
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