Basic information
- CAS
15672-93-2- Standard SMILES
CSCCC(C)(C)C- InChIKey
KGKNTQSTLKJVGQ-UHFFFAOYSA-N- Molecular formula
- C7H16S
- Average molar mass
- 132.27 g/mol
- Monoisotopic mass
- 132.09727168
Names & identifiers
- Preferred name
- 3,3-Dimethyl-1-methylsulfanylbutane
- IUPAC
- 3,3-dimethyl-1-methylsulfanylbutane
Names & synonyms
15672-93-23,3-dimethyl-1-methylsulfanylbutane3,3-dimethyl-1-(methylsulfanyl)butaneNSC133275SCHEMBL74466SCHEMBL7964326DTXSID20299853NSC-133275
Database identifiers
- CAS
15672-93-2- PubChem CID
- 280925
- DTXSID
DTXSID20299853
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 51.9
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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