Basic information
- CAS
4727-45-1- Standard SMILES
C[S+](C)CCOC(=O)CCC(=O)OCC[S+](C)C.[I-].[I-]- InChIKey
HJQTYMDWVQMHLX-UHFFFAOYSA-L- Molecular formula
- C12H24I2O4S2
- Average molar mass
- 550.3 g/mol
- Monoisotopic mass
- 549.92055
Names & identifiers
- Preferred name
- 2,13-Dimethyl-6,9-dioxo-5,10-dioxa-2,13-dithioniatetradecane diiodide
- IUPAC
- 2-[4-(2-dimethylsulfonioethoxy)-4-oxobutanoyl]oxyethyl-dimethylsulfanium diiodide
- English name
- 2,13-dimethyl-6,9-dioxo-5,10-dioxa-2,13-dithioniatetradecane diiodide
- Molecular formula
- C12H24IO4S2+
- Molecular weight
- 423.34
Names & synonyms
4727-45-12,13-Dimethyl-6,9-dioxo-5,10-dioxa-2,13-dithioniatetradecane diiodideEINECS 225-222-7DTXSID00963782HJQTYMDWVQMHLX-UHFFFAOYSA-LNS00044275[(1,4-Dioxobutane-1,4-diyl)bis(oxyethane-2,1-diyl)]bis(dimethylsulfanium) diiodide
Database identifiers
- CAS
4727-45-1- PubChem CID
- 6452080
- DTXSID
DTXSID00963782- EC Number
- 225-222-7
Properties
Computed structural properties
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 228
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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