1,3,2-Dioxathiane, 4,4-dimethyl-, 2-oxide
Basic information
- CAS
1003-85-6- Standard SMILES
CC1(C)CCOS(=O)O1- InChIKey
ZCWRAERLSMTDHH-UHFFFAOYSA-N- Molecular formula
- C5H10O3S
- Average molar mass
- 150.2 g/mol
- Monoisotopic mass
- 150.03506535
Names & identifiers
- Preferred name
- 1,3,2-Dioxathiane, 4,4-dimethyl-, 2-oxide
- IUPAC
- 4,4-dimethyl-1,3,2-dioxathiane 2-oxide
- English name
- 5,6-Dihydro-5,5-dimethyl-4H-1,3,2-dioxathiin 2-oxide
- Molecular formula
- C5H10O3S
- Molecular weight
- 150.2
Names & synonyms
1,3,2-DIOXATHIANE, 4,4-DIMETHYL-, 2-OXIDERefChem:1052470BRN 12376992,2-Dimethyl-1,3-propanediol cyclic sulfite1,3-Propanediol, 2,2-dimethyl-, cyclic sulfiteDTXSID109053354,4-Dimethyl-[1,3,2]dioxathiane 2-oxide5,5-dimethyl-1,3,2$l^{4}-dioxathian-2-one4,4-Dimethyl-1,3,2lambda~4~-dioxathian-2-one4-01-00-02552 (Beilstein Handbook Reference)DK439DKSI171
Show more names
DKFELEX0089Busulfan Impurity 14Busulfan Impurity 20Chloroprocaine Impurity 55,5-Dimethyl-1,3,2λ4-dioxathian-2-one5,5-Dimethyl-1,3,2-dioxathiane 2-oxide1,3,2-DIOXATHIANE,5,5-DIMETHYL-, 2-OXIDE5,5-Dimethyl-1,3,2-dioxathiinane 2-oxide
Database identifiers
- CAS
1003-85-6- PubChem CID
- 13859
- DTXSID
DTXSID10905335
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 132
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H317
- Precautionary statements
- 261 · P261-P264-P280-P362+P364-P333+P313-P305+P351+P338+P310
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H315-H318-H317
- Precautionary statements
- P261-P264-P280-P362+P364-P333+P313-P305+P351+P338+P310
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
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Compound notes
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