Basic information
- CAS
6581-68-6- Standard SMILES
O=S1(=O)CCCC(c2ccccc2)C1- InChIKey
XKCGFOMTBPFTCD-UHFFFAOYSA-N- Molecular formula
- C11H14O2S
- Average molar mass
- 210.29 g/mol
- Monoisotopic mass
- 210.07145086
Names & identifiers
- Preferred name
- 3-Phenylthiane,S,S-dioxide
- IUPAC
- 3-phenylthiane 1,1-dioxide
Names & synonyms
3-Phenylthiane,S,S-dioxide6581-68-6DTXSID30880918RefChem:281861DTXCID801022261XKCGFOMTBPFTCD-UHFFFAOYSA-N3-Phenyl-1lambda~6~-thiane-1,1-dioneNS000962513-Phenyltetrahydro-2H-thiopyran 1,1-dioxide #
Database identifiers
- CAS
6581-68-6- PubChem CID
- 588992
- DTXSID
DTXSID30880918
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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