4-Methyl-1,3,2-dioxathiane 2,2-dioxide
Basic information
- CAS
4426-50-0- Standard SMILES
CC1CCOS(=O)(=O)O1- InChIKey
KLXMOOWASHTDLR-UHFFFAOYSA-N- Molecular formula
- C4H8O4S
- Average molar mass
- 152.17 g/mol
- Monoisotopic mass
- 152.01432991
Names & identifiers
- Preferred name
- 4-Methyl-1,3,2-dioxathiane 2,2-dioxide
- IUPAC
- 4-methyl-1,3,2-dioxathiane 2,2-dioxide
- English name
- 1,3-Butylenesulfate
- Molecular formula
- C4H8O4S
- Molecular weight
- 152.17
Names & synonyms
4426-50-04-Methyl-1,3,2-dioxathiane 2,2-dioxide1,3-Butylene sulfate1,3-BUTYLENESULFATE1,3,2-Dioxathiane, 4-methyl-, 2,2-dioxideMFCD001425171-Methyltrimethylene sulfate1,3-BUTANEDIOL, CYCLIC SULFATEBRN 12385053-01-00-02171 (Beilstein Handbook Reference)SCHEMBL5989973DTXSID70963198
Show more names
1,3-BUTYLENESULPHATE1-methyltrimethylenesulfateSulfuric acid 1,3-butanediyl1,3-butanediol,cyclicsulfate1,3,2-dioxathiane,4-methyl-,2,2-dioxide4-Methyl-1,3-dioxa-2-thia(VI)cyclohexane-2,2-dione
KLXMOOWASHTDLR-UHFFFAOYSA-NAKOS0062749204-Methyl-1,3,2-dioxathiane2,2-dioxide4-Methyl-[1,3,2]dioxathiane 2,2-dioxide4-Methyl-1,3,2lambda~6~-dioxathiane-2,2-dione
Database identifiers
- CAS
4426-50-0- PubChem CID
- 20480
- DTXSID
DTXSID70963198- Nikkaji
- J42.711J
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Melting point
- 43 · 43-44 °C
- Boiling point
- 150 °C · 150 °C(Press: 15 Torr)
- Density
- 1.4901 g/cm3 · 1.4901 g/cm3
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…