Basic information
- CAS
29422-01-3- Standard SMILES
O=S1(=O)CCC(OC2CCS(=O)(=O)C2)C1- InChIKey
LXMDAGYXJGGKTH-UHFFFAOYSA-N- Molecular formula
- C8H14O5S2
- Average molar mass
- 254.3 g/mol
- Monoisotopic mass
- 254.02826555
Names & identifiers
- Preferred name
- Bis(1,1-dioxidotetrahydro-3-thienyl) ether
- IUPAC
- 3-(1,1-dioxothiolan-3-yl)oxythiolane 1,1-dioxide
- English name
- 3,3'-oxybis[tetrahydrothiophene] 1,1,1',1'-tetraoxide
- Molecular formula
- C8H14O5S2
- Molecular weight
- 254.32
Names & synonyms
29422-01-3Bis(1,1-dioxidotetrahydro-3-thienyl) ether3,3'-Oxybis(tetrahydrothiophene 1,1-dioxide)3-(1,1-dioxothiolan-3-yl)oxythiolane 1,1-dioxideNSC269433,3'-Oxybis(tetrahydrothiophene) 1,1,1',1'-tetraoxide3-SULFOLANYL ETHEREINECS 249-618-4NSC 26943ChemDiv2_001335SCHEMBL11101689DTXSID40951946
Show more names
bis-(1,1-dioxo-tetrahydro-1λ6-[3]thienyl)-ether3,3'-oxybis[tetrahydrothiophene] 1,1,1',1'-tetraoxideThiophene, 3,3'-oxybis[tetrahydro-, 1,1,1',1'-tetraoxide
HMS1372I15NSC-26943SBB041310STK848383AKOS000269448AKOS016039445NS000496763,3'-Oxybis(tetrahydrothiophene1,1-dioxide)
Database identifiers
- CAS
29422-01-3- PubChem CID
- 95279
- DTXSID
DTXSID40951946- EC Number
- 249-618-4
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 383
Physicochemical properties
- Melting point
- 161.5 · 161.5-162 °C
- Boiling point
- 560.8 · 560.8±50.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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