Basic information
- CAS
62184-67-2- Standard SMILES
CCC1CCSC1- InChIKey
BEEJXKSVPBKHQM-UHFFFAOYSA-N- Molecular formula
- C6H12S
- Average molar mass
- 116.23 g/mol
- Monoisotopic mass
- 116.06597156
Names & identifiers
- Preferred name
- 3-Ethylthiolane
- IUPAC
- 3-ethylthiolane
Names & synonyms
3-Ethylthiolane3-Ethyltetrahydrothiophene3-Ethyl-thiacyclopentaneSCHEMBL200172SCHEMBL1353432BEEJXKSVPBKHQM-UHFFFAOYSA-NDTXSID20135047462184-67-2
Database identifiers
- CAS
62184-67-2- PubChem CID
- 575673
- DTXSID
DTXSID201350474- Nikkaji
- J2.520.581B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 52.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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