Basic information
- CAS
1679-27-2- Standard SMILES
O=S1(=O)CC2(CO1)COS(=O)(=O)C2- InChIKey
UHKRTDTUZQBHDN-UHFFFAOYSA-N- Molecular formula
- C5H8O6S2
- Average molar mass
- 228.2 g/mol
- Monoisotopic mass
- 227.97623032
Names & identifiers
- Preferred name
- 2,7-Dioxa-3lambda~6~,8lambda~6~-dithiaspiro[4.4]nonane-3,3,8,8-tetrone
- IUPAC
- 2,7-dioxa-3λ6,8λ6-dithiaspiro[4.4]nonane 3,3,8,8-tetraoxide
Names & synonyms
1679-27-2NSC65100NCIOpen2_003138SCHEMBL12345762DTXSID40289892NSC-651002,7-Dioxa-3lambda~6~,8lambda~6~-dithiaspiro[4.4]nonane-3,3,8,8-tetrone
Database identifiers
- CAS
1679-27-2- PubChem CID
- 248367
- DTXSID
DTXSID40289892
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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