Basic information
- CAS
6338-62-1- Standard SMILES
CCCCCCCCCCOCCS- InChIKey
PFQFVQVKXOUUBL-UHFFFAOYSA-N- Molecular formula
- C12H26OS
- Average molar mass
- 218.4 g/mol
- Monoisotopic mass
- 218.17043662
Names & identifiers
- Preferred name
- 2-(Decyloxy)ethane-1-thiol
- IUPAC
- 2-decoxyethanethiol
Names & synonyms
6338-62-12-(decyloxy)ethane-1-thiolNSC40772SCHEMBL5933512SCHEMBL5933515DTXSID80979548NSC-40772
Database identifiers
- CAS
6338-62-1- PubChem CID
- 237356
- DTXSID
DTXSID80979548
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 10.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 96.3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…