2,4,6-Tris(4-chlorophenyl)-2-methoxy-2H-thiopyran
Basic information
- CAS
88559-35-7- Standard SMILES
COC1(c2ccc(Cl)cc2)C=C(c2ccc(Cl)cc2)C=C(c2ccc(Cl)cc2)S1- InChIKey
XKJNCTHOHDFHCR-UHFFFAOYSA-N- Molecular formula
- C24H17Cl3OS
- Average molar mass
- 459.8 g/mol
- Monoisotopic mass
- 458.006569
Names & identifiers
- Preferred name
- 2,4,6-Tris(4-chlorophenyl)-2-methoxy-2H-thiopyran
- IUPAC
- 2,4,6-tris(4-chlorophenyl)-2-methoxythiopyran
Names & synonyms
88559-35-72,4,6-Tris(4-chlorophenyl)-2-methoxy-2H-thiopyranDTXSID30516902
Database identifiers
- CAS
88559-35-7- PubChem CID
- 13063473
- DTXSID
DTXSID30516902
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 34.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 612
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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