2,3-Dimethyl-4-thiaoctane
Basic information
- CAS
66481-80-9- Standard SMILES
CCCCSC(C)C(C)C- InChIKey
CZKUFTNGZKIOPM-UHFFFAOYSA-N- Molecular formula
- C9H20S
- Average molar mass
- 160.32 g/mol
- Monoisotopic mass
- 160.12857181
Names & identifiers
- Preferred name
- 2,3-Dimethyl-4-thiaoctane
- IUPAC
- 2-butylsulfanyl-3-methylbutane
Names & synonyms
2,3-dimethyl-4-thiaoctane66481-80-9DTXSID90335479RefChem:245033DTXCID40286568CZKUFTNGZKIOPM-UHFFFAOYSA-Nn-butyl 1,2-dimethylpropyl sulfide2-(BUTYLSULFANYL)-3-METHYLBUTANE
Database identifiers
- CAS
66481-80-9- PubChem CID
- 525366
- DTXSID
DTXSID90335479
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 69.1
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Compound notes
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