Basic information
- CAS
1899-25-8- Standard SMILES
C#CCOS(=O)OCC#C- InChIKey
IBFKUDZISVEAJN-UHFFFAOYSA-N- Molecular formula
- C6H6O3S
- Average molar mass
- 158.18 g/mol
- Monoisotopic mass
- 158.00376522
Names & identifiers
- Preferred name
- Sulfurous acid, bis(2-propynyl) ester
- IUPAC
- bis(prop-2-ynyl) sulfite
- English name
- Sulfurous acid bis(2-propynyl) ester
- Molecular weight
- 0
Names & synonyms
1899-25-8Sulfurous acid, bis(2-propynyl) esterRefChem:1099285Sulfurous acid bis(2-propynyl) esterbis(prop-2-ynyl) sulfiteDi-2-propynyl sulfitediprop-2-yn-1-yl sulfiteBRN 1856394SCHEMBL779499Di(prop-2-yn-1-yl) sulfiteDTXSID20940515
Database identifiers
- CAS
1899-25-8- PubChem CID
- 121195
- DTXSID
DTXSID20940515- Nikkaji
- J48.769D
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 182
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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