Basic information
- CAS
989-21-9- Standard SMILES
O=C(c1ccccc1)C1(c2ccccc2)C(C(=O)c2ccccc2)(c2ccccc2)S1(=O)=O- InChIKey
RHISAXAFLNJXAT-UHFFFAOYSA-N- Molecular formula
- C28H20O4S
- Average molar mass
- 452.5 g/mol
- Monoisotopic mass
- 452.10823029
Names & identifiers
- Preferred name
- 2,3-Dibenzoyl-2,3-diphenylthiirane-1,1-dione
- IUPAC
- (3-benzoyl-1,1-dioxo-2,3-diphenylthiiran-2-yl)-phenylmethanone
Names & synonyms
989-21-9DTXSID702980332,3-Dibenzoyl-2,3-diphenylthiirane-1,1-dioneRefChem:244444DTXCID60249170(1,1-dioxido-2,3-diphenylthiirane-2,3-diyl)bis(phenylmethanone)NSC120353NSC-120353AE-477/135194692,3-Dibenzoyl-2,3-diphenyl-1lambda~6~-thiirane-1,1-dione(3-benzoyl-1,1-dioxido-2,3-diphenyl-2-thiiranyl)(phenyl)methanone
Database identifiers
- CAS
989-21-9- PubChem CID
- 274342
- DTXSID
DTXSID70298033
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 770
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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