4,4-Dioxo-1,4-oxathiane - ≥98%(GC) , CAS No.107-61-9

CAS: 107-61-9 Cat. No.: D155539 Molecular Weight: 136.17 Beilstein Registry Number: 19,3 EC Number: 203-507-7
AVAILABLE TO ORDER
GRADE & PURITY ≥98%(GC)
Synonyms
1,4lambda6-oxathiane-4,4-dione | Q-101896 | NSC39595 | NSC-39595 | MFCD00011683 | 1,4-Thioxane-1,1-dioxide | WWRUZECKUVNAPB-UHFFFAOYSA-N | 1,4-OXATHIANE, 4,4-DIOXIDE | AS-58120 | SY048211 | 1, 4,4-dioxide | p-Thioxane sulfone | 4-19-00-00034 (Beilstein Ha
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
1g
D155539-1g
8

$9.90

$14.90
Save $5.00 (33.56%)
5g
D155539-5g
5

$16.90

$25.90
Save $9.00 (34.75%)
25g
D155539-25g
5

$35.90

$53.90
Save $18.00 (33.40%)
100g
D155539-100g
2

$128.90

$193.90
Save $65.00 (33.52%)
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Why this grade

≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
1, 4lambda6-oxathiane-4, 4-dione | Q-101896 | NSC39595 | NSC-39595 | MFCD00011683 | 1, 4-Thioxane-1, 1-dioxide | WWRUZECKUVNAPB-UHFFFAOYSA-N | 1, 4-OXATHIANE, 4, 4-DIOXIDE | AS-58120 | SY048211 | 1, 4, 4-dioxide | p-Thioxane sulfone | 4-19-00-00034 (Beilstein Ha
Specifications & Purity
≥98%(GC)
Storage
Room temperature
Shipped In
Normal
Purity
≥98%(GC)
Names and Identifiers
Pubchem Sid488180594
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488180594
Canonical SmilesC1CS(=O)(=O)CCO1
IUPAC Name1,4-oxathiane 4,4-dioxide
InChIKeyWWRUZECKUVNAPB-UHFFFAOYSA-N
INCHI1S/C4H8O3S/c5-8(6)3-1-7-2-4-8/h1-4H2
Isomeric SMILES C1CS(=O)(=O)CCO1
RTECS RP4375000
Molecular Weight 136.17
Beilstein 19,3
Reaxy-Rn 110609
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110609&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassOxathianes
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentOxathianes
Alternative Parents Sulfones  Oxacyclic compounds  Dialkyl ethers  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic heteromonocyclic compounds
Substituents 1,4-oxathiane - Sulfone - Oxacycle - Ether - Dialkyl ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as oxathianes. These are compounds containing an oxathiane moiety, which consists of a saturated aliphatic six-member ring with one oxygen atom, a sulfur atom, and four carbon atoms. Isomers of oxaphospholane include 1,2-oxathiane, 1,3-oxathiane,and 1,4-oxathiane.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot NumberCertificate TypeDateItem
C1929106Certificate of AnalysisMay 21, 2026 D155539
G2412328Certificate of AnalysisApr 07, 2026 D155539
C2215163Certificate of AnalysisSep 09, 2025 D155539
C2215167Certificate of AnalysisSep 09, 2025 D155539
C2215187Certificate of AnalysisSep 09, 2025 D155539
F2330087Certificate of AnalysisApr 09, 2025 D155539
G2412329Certificate of AnalysisApr 26, 2024 D155539
Chemical and Physical Properties
Melt Point(°C)133 °C
Molecular Weight136.170 g/mol
XLogP3-0.800
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass136.019 Da
Monoisotopic Mass136.019 Da
Topological Polar Surface Area51.800 Ų
Heavy Atom Count8
Formal Charge0
Complexity141.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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