2-(2-Phenylethenyl)-1,3-dithiolane
Basic information
- CAS
5616-58-0- Standard SMILES
C(=CC1SCCS1)c1ccccc1- InChIKey
ITTGPONHZMGPAN-UHFFFAOYSA-N- Molecular formula
- C11H12S2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.03804273
Names & identifiers
- Preferred name
- 2-(2-Phenylethenyl)-1,3-dithiolane
- IUPAC
- 2-(2-phenylethenyl)-1,3-dithiolane
Names & synonyms
DTXSID6013140122-(2-PHENYLETHENYL)-1,3-DITHIOLANE
Database identifiers
- CAS
5616-58-0- PubChem CID
- 21831
- DTXSID
DTXSID601314012
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
- 165
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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