Basic information
- CAS
202113-31-3- Standard SMILES
O=S1(=O)CC(O)C(O)CS1- InChIKey
HEDDKNPLYXIIDO-UHFFFAOYSA-N- Molecular formula
- C4H8O4S2
- Average molar mass
- 184.2 g/mol
- Monoisotopic mass
- 183.98640108
Names & identifiers
- Preferred name
- 1,2-Dithiane-4,5-diol, 1,1-dioxide
- IUPAC
- 1,1-dioxodithiane-4,5-diol
- English name
- 1,2-dithiane-4,5-diol 1,1-dioxide
- Molecular formula
- C4H8O4S2
- Molecular weight
- 184.23
Names & synonyms
1,2-Dithiane-4,5-diol, 1,1-dioxide202113-31-3RefChem:2161811,1-dioxodithiane-4,5-diolMLS0033739801,1-Dioxo-1,2-dithiane-4,5-diol4,5-Dihydroxy-1,2lambda~6~-dithiane-1,1-dioneSCHEMBL6423611CHEMBL2360937DTXSID4012973951,2-dithiane-4,5-diol-1,1-dioxideSMR002048768
Show more names
1,2-dithiane-4,5-diol 1,1-dioxide
Database identifiers
- CAS
202113-31-3- PubChem CID
- 477302
- DTXSID
DTXSID401297395- ChEMBL
CHEMBL2360937
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Boiling point
- 456.2 · 456.2±45.0 °C(Predicted)
- Density
- 1.73 · 1.730±0.06 g/cm3(Predicted)
- pka
- 12.72 · 12.72±0.40(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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