Basic information
- CAS
5258-51-5- Standard SMILES
CC1CCC(C)(C)S1- InChIKey
DHIFJEDHXBEYEE-UHFFFAOYSA-N- Molecular formula
- C7H14S
- Average molar mass
- 130.25 g/mol
- Monoisotopic mass
- 130.08162162
Names & identifiers
- Preferred name
- 2,2,5-Trimethyl-thiacyclopentane
- IUPAC
- 2,2,5-trimethylthiolane
Names & synonyms
2,2,5-trimethyl-thiacyclopentane5258-51-5DTXSID20423833RefChem:242945DTXCID40374671DHIFJEDHXBEYEE-UHFFFAOYSA-N2,2,5-trimethylthiolaneSCHEMBL576852
Database identifiers
- CAS
5258-51-5- PubChem CID
- 6428512
- DTXSID
DTXSID20423833
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 86.4
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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