7-Thiabicyclo(4.2.0)octa-1,3,5-triene 7,7-dioxide
Basic information
- CAS
16065-50-2- Standard SMILES
O=S1(=O)Cc2ccccc21- InChIKey
MOLVQFOPTPGHIG-UHFFFAOYSA-N- Molecular formula
- C7H6O2S
- Average molar mass
- 154.19 g/mol
- Monoisotopic mass
- 154.0088506
Names & identifiers
- Preferred name
- 7-Thiabicyclo(4.2.0)octa-1,3,5-triene 7,7-dioxide
- IUPAC
- 7λ6-thiabicyclo[4.2.0]octa-1,3,5-triene 7,7-dioxide
Names & synonyms
16065-50-27-Thiabicyclo(4.2.0)octa-1,3,5-triene 7,7-dioxideNSC 309699DTXSID701669607-Thiabicyclo[4.2.0]octa-1,3,5-triene 7,7-dioxideRefChem:311300DTXCID3089451VSY2UG5ZKLUNII-VSY2UG5ZKLNSC309699NSC-309699SCHEMBL2376272
Show more names
7lambda6-thiabicyclo[4.2.0]octa-1,3,5-triene 7,7-dioxide7lambda~6~-Thiabicyclo[4.2.0]octa-1,3,5-triene-7,7-dione7$l^{6}-thiabicyclo[4.2.0]octa-1(6),2,4-triene 7,7-dioxide
Database identifiers
- CAS
16065-50-2- PubChem CID
- 328858
- DTXSID
DTXSID70166960- UNII
- VSY2UG5ZKL
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 224
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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