Basic information
- CAS
16808-55-2- Standard SMILES
O=S1(=O)C(c2ccccc2)=CC12CC1c3ccccc3C2c2ccccc21- InChIKey
ZAJRIXIULNIHDU-UHFFFAOYSA-N- Molecular formula
- C24H18O2S
- Average molar mass
- 370.5 g/mol
- Monoisotopic mass
- 370.10275099
Names & identifiers
- Preferred name
- 4'-Phenyl-9,10-dihydrospiro[9,10-ethanoanthracene-11,2'-thiete] 1',1'-dioxide
- IUPAC
- 4'-phenylspiro[tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15,2'-thiete] 1',1'-dioxide
- English name
- Spiro[9,10-ethanoanthracene-11,2'-[2H]thiete], 9,10-dihydro-4'-phenyl-, 1',1'-dioxide
- Molecular formula
- C24H18O2S
- Molecular weight
- 370.47
Names & synonyms
16808-55-24'-phenyl-9,10-dihydrospiro[9,10-ethanoanthracene-11,2'-thiete] 1',1'-dioxideNSC135385DTXSID20300211RCL T162515AKOS024321329NSC-1353854'-Phenyl-9,10-dihydro-1'H-1'lambda~6~-spiro[9,10-ethanoanthracene-11,2'-thiete]-1',1'-dioneSpiro[9,10-ethanoanthracene-11,2'-[2H]thiete], 9,10-dihydro-4'-phenyl-, 1',1'-dioxide
Database identifiers
- CAS
16808-55-2- PubChem CID
- 282200
- DTXSID
DTXSID20300211
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 717
Physicochemical properties
- Boiling point
- 602 · 602.0±55.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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