1,3-Dithiolane, 2-phenyl-2-propyl-
Basic information
- CAS
5769-03-9- Standard SMILES
CCCC1(c2ccccc2)SCCS1- InChIKey
LJFGHNLBEOVXBW-UHFFFAOYSA-N- Molecular formula
- C12H16S2
- Average molar mass
- 224.4 g/mol
- Monoisotopic mass
- 224.06934286
Names & identifiers
- Preferred name
- 1,3-Dithiolane, 2-phenyl-2-propyl-
- IUPAC
- 2-phenyl-2-propyl-1,3-dithiolane
Names & synonyms
2-Phenyl-2-propyl-1,3-dithiolaneBRN 01475281,3-DITHIOLANE, 2-PHENYL-2-PROPYL-5769-03-9DTXSID402063874-19-00-00243 (Beilstein Handbook Reference)RefChem:219197DTXCID40128878
Database identifiers
- CAS
5769-03-9- PubChem CID
- 21993
- DTXSID
DTXSID40206387- Nikkaji
- J91.192E
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 50.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 167
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Compound notes
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