Basic information
- CAS
64824-52-8- Standard SMILES
O=C1C(c2ccccc2)CS(=O)(=O)CC1c1ccccc1- InChIKey
SNQCMLILKIMIOR-UHFFFAOYSA-N- Molecular formula
- C17H16O3S
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.08201554
Names & identifiers
- Preferred name
- 3,5-Diphenyltetrahydro-4H-thiopyran-4-one 1,1-dioxide
- IUPAC
- 1,1-dioxo-3,5-diphenylthian-4-one
Names & synonyms
3,5-Diphenyltetrahydro-4H-thiopyran-4-one 1,1-dioxide64824-52-8NSC135461NSC 135461NSC-1354611,1-dioxo-3,5-diphenylthian-4-one77C3NXY6Q7DTXSID20983422AKOS0243213141,1-dioxo-3,5-diphenyl-thian-4-one3,5-Diphenyl-1lambda~6~-thiane-1,1,4-trione4H-Thiopyran-4-one, tetrahydro-3,5-diphenyl-, 1,1-dioxide
Database identifiers
- CAS
64824-52-8- PubChem CID
- 282255
- DTXSID
DTXSID20983422- UNII
- 77C3NXY6Q7
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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