Basic information
- CAS
6008-82-8- Standard SMILES
CCC1(c2ccccc2)SCCS1- InChIKey
NRBJYWMPTBYHGI-UHFFFAOYSA-N- Molecular formula
- C11H14S2
- Average molar mass
- 210.4 g/mol
- Monoisotopic mass
- 210.05369279
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 2-ethyl-2-phenyl-
- IUPAC
- 2-ethyl-2-phenyl-1,3-dithiolane
- English name
- Propiophenone ethane-1,2-diyl dithioacetal
- Molecular formula
- C11H14S2
- Molecular weight
- 210.36
Names & synonyms
2-Ethyl-2-phenyl-1,3-dithiolaneBRN 01333721,3-DITHIOLANE, 2-ETHYL-2-PHENYL-DTXSID602088234-19-00-00235 (Beilstein Handbook Reference)RefChem:219187DTXCID101313146008-82-82-Phenyl-2-ethyl-1,3-dithiolanePropiophenone ethane-1,2-diyl dithioacetal
Database identifiers
- CAS
6008-82-8- PubChem CID
- 22334
- DTXSID
DTXSID60208823- Nikkaji
- J42.237A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 155
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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