2-(2-Phenylethyl)-1,3-dithiolane
Basic information
- CAS
14505-46-5- Standard SMILES
c1ccc(CCC2SCCS2)cc1- InChIKey
FNBDPHKBUBKFCO-UHFFFAOYSA-N- Molecular formula
- C11H14S2
- Average molar mass
- 210.4 g/mol
- Monoisotopic mass
- 210.05369279
Names & identifiers
- Preferred name
- 2-(2-Phenylethyl)-1,3-dithiolane
- IUPAC
- 2-(2-phenylethyl)-1,3-dithiolane
Names & synonyms
1,3-DITHIOLANE, 2-PHENETHYL-2-(2-phenylethyl)-1,3-dithiolane14505-46-5DTXSID40162873RefChem:1060941DTXCID10853642-Phenethyl-1,3-dithiolaneBRN 1307551SCHEMBL4258932SCHEMBL4258936
Database identifiers
- CAS
14505-46-5- PubChem CID
- 26718
- DTXSID
DTXSID40162873- Nikkaji
- J91.190I
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 135
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Compound notes
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