2-(Benzenesulfinyl)-2-benzyl-3-pentyloxirane
Basic information
- CAS
95110-66-0- Standard SMILES
CCCCCC1OC1(Cc1ccccc1)S(=O)c1ccccc1- InChIKey
PDAAQQWVHFYNCM-UHFFFAOYSA-N- Molecular formula
- C20H24O2S
- Average molar mass
- 328.5 g/mol
- Monoisotopic mass
- 328.14970118
Names & identifiers
- Preferred name
- 2-(Benzenesulfinyl)-2-benzyl-3-pentyloxirane
- IUPAC
- 2-(benzenesulfinyl)-2-benzyl-3-pentyloxirane
Names & synonyms
95110-66-02-(BENZENESULFINYL)-2-BENZYL-3-PENTYLOXIRANEDTXSID30537995RefChem:253172DTXCID40488782
Database identifiers
- CAS
95110-66-0- PubChem CID
- 13353095
- DTXSID
DTXSID30537995- Nikkaji
- J337.303G
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 48.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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