1,4-Oxathiane, 4,4-dioxide

Base Information

Chemical Name:1,4-Oxathiane, 4,4-dioxide
CAS No.:107-61-9
Molecular Formula:C4H8O3S
Molecular Weight:136.172
Hs Code.:2934999090
European Community (EC) Number:203-507-7
NSC Number:39595
UNII:RE8GT96GQ7
DSSTox Substance ID:DTXSID2059352
Nikkaji Number:J78.505I
Wikidata:Q72508952
Mol file:107-61-9.mol

Synonyms:107-61-9;1,4-Oxathiane 4,4-Dioxide;1,4-Thioxane-1,1-dioxide;4,4-Dioxo-1,4-oxathiane;Thioxane sulfone;1,4-OXATHIANE, 4,4-DIOXIDE;p-Thioxane sulfone;Oxathiane 4,4-dioxide;USAF DO-38;1,4-Thioxane 1,1-Dioxide;1,4-oxathiane sulfone;EINECS 203-507-7;NSC 39595;BRN 0110609;RE8GT96GQ7;1,4??-oxathiane-4,4-dione;1,4lambda~6~-oxathiane-4,4-dione;MFCD00011683;NSC-39595;4-19-00-00034 (Beilstein Handbook Reference);1,4lambda6-oxathiane-4,4-dione;1, 4,4-dioxide;p-Oxathiane-4,4-dioxide;WLN: T6O DSWTJ;UNII-RE8GT96GQ7;1,4-oxathian-4,4-dioxid;1.4-Thioxan-1.1-dioxid;SCHEMBL256062;DTXSID2059352;CHEBI:194844;NSC39595;AKOS005146231;AS-58120;LS-99661;SY048211;CS-0128435;D2108;FT-0606933;EN300-64208;D70978;Q-101896;Z992614860

Suppliers and Price of 1,4-Oxathiane, 4,4-dioxide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TCI Chemical
4,4-Dioxo-1,4-oxathiane >98.0%(GC)
5g
$ 26.00

TCI Chemical
4,4-Dioxo-1,4-oxathiane >98.0%(GC)
25g
$ 114.00

Crysdot
1,4-Oxathiane4,4-dioxide 95+%
500g
$ 653.00

Chem-Impex
4,4-Dioxo-1,4-oxathiane,≥98%(GC) ≥98%(GC)
5G
$ 27.74

Chemenu
1,4-thioxane-1,1-dioxide 95%
500g
$ 611.00

American Custom Chemicals Corporation
1,4-THIOXANE-1,1-DIOXIDE 95.00%
100G
$ 2727.48

Alfa Aesar
1,4-Oxathiane 4,4-dioxide, 99%
25g
$ 83.00

Alfa Aesar
1,4-Oxathiane 4,4-dioxide, 99%
5g
$ 29.30

AK Scientific
1,4-Oxathiane4,4-dioxide
5g
$ 85.00

Total 54 raw suppliers

Chemical Property of 1,4-Oxathiane, 4,4-dioxide

Chemical Property:

Appearance/Colour:White to almost white shiny crystalline powder
Vapor Pressure:0.000178mmHg at 25°C
Melting Point:131-133 °C
Refractive Index:1.47
Boiling Point:339.691 °C at 760 mmHg
Flash Point:159.24 °C
PSA：51.75000
Density:1.308 g/cm³
LogP:0.51220
Storage Temp.:Inert atmosphere,Room Temperature
XLogP3:-0.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:136.01941529
Heavy Atom Count:8
Complexity:141

Purity/Quality:

99% ^*data from raw suppliers

4,4-Dioxo-1,4-oxathiane >98.0%(GC) ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CS(=O)(=O)CCO1
General Description 1,4-Thioxane-1,1-dioxide (also known as 1,4-oxathiane 4,4-dioxide or thioxane sulfone) is a cyclic sulfone compound derived from the oxidation of divinyl sulfone under strongly alkaline conditions (pH 12–14). It forms through the cyclization of divinyl sulfone, which itself is a product of hydrogen chloride elimination from sulfur mustard sulfone (HDO2) in high-pH environments. 1,4-Thioxane-1,1-dioxide exhibits greater thermodynamic stability compared to its 1,3-oxathiane sulfone counterpart, as evidenced by calorimetric and computational studies, which attribute this stability to reduced electrostatic repulsion between the sulfone oxygen and the ring oxygen. Experimental and theoretical data confirm its well-defined enthalpy of formation, with G3-level calculations aligning closely with measured values. 1,4-Thioxane-1,1-dioxide's synthesis is relevant in decontamination studies of sulfur mustard derivatives, where alkaline conditions promote its formation from sulfone precursors.

Technology Process of 1,4-Oxathiane, 4,4-dioxide

There total 23 articles about 1,4-Oxathiane, 4,4-dioxide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

: 15980-15-1
1,4-Oxathiane

: 107-61-9
1,4-oxathiane-4,4-dioxide

Guidance literature:: With silica gel; magnesium monoperoxyphthalate hexahydrate; In dichloromethane; for 0.833333h; Heating;
DOI:10.1080/00397919808004877