Basic information
- CAS
5732-45-6- Standard SMILES
O=S1OCCCCO1- InChIKey
XJYDIOOQMIRSSY-UHFFFAOYSA-N- Molecular formula
- C4H8O3S
- Average molar mass
- 136.17 g/mol
- Monoisotopic mass
- 136.01941529
Names & identifiers
- Preferred name
- 1,3,2-Dioxathiepane 2-oxide
- IUPAC
- 1,3,2-dioxathiepane 2-oxide
- English name
- 1,3,2-dioxathiepane 2-oxide
- Molecular formula
- C4H8O3S
- Molecular weight
- 136.17
Names & synonyms
1,3,2-Dioxathiepane 2-oxide5732-45-6NSC-786881,3,2-dioxathiepan-2-onebutylene sulphiteNSC78688EINECS 227-237-4TGB68D4W4FSCHEMBL2835122[1,3,2]Dioxathiepane 2-oxide1,3,2-Dioxathiepane, 2-oxideDTXSID00205937
Show more names
XJYDIOOQMIRSSY-UHFFFAOYSA-NNSC 78688SBB0606651,3,2lambda~4~-Dioxathiepan-2-oneAKOS006295325NS00047350ST51046801
Database identifiers
- CAS
5732-45-6- PubChem CID
- 79807
- DTXSID
DTXSID00205937- UNII
- TGB68D4W4F
- EC Number
- 227-237-4
- Nikkaji
- J1.172.344F、J225.122A
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 83.3
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Boiling point
- 119 °C · 119 °C(Press: 15 Torr)
- Density
- 1.2537 g/cm3 · 1.2537 g/cm3
Chemistry & industry
Suppliers5 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
南京合巨药业有限公司25-57027686 17372956142 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
安阳鸿蒙新材料有限公司0372-19588588067 19588588067 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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