Basic information
- CAS
59412-21-4- Standard SMILES
O=S1(=O)C=C(c2ccccc2)S(=O)(=O)C=C1c1ccccc1- InChIKey
YNGKTLMTTOQZRW-UHFFFAOYSA-N- Molecular formula
- C16H12O4S2
- Average molar mass
- 332.4 g/mol
- Monoisotopic mass
- 332.01770121
Names & identifiers
- Preferred name
- 2,5-Diphenyl-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetrone
- IUPAC
- 2,5-diphenyl-1,4-dithiine 1,1,4,4-tetraoxide
Names & synonyms
59412-21-4DTXSID803132012,5-Diphenyl-1lambda~6~,4lambda~6~-dithiine-1,1,4,4-tetroneRefChem:247674DTXCID80264325NSC267340NSC-267340
Database identifiers
- CAS
59412-21-4- PubChem CID
- 320320
- DTXSID
DTXSID80313201
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 613
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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