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5,5-dimethyl-1,3,2-dioxathiane 2-oxide - 98%, high purity , CAS No.1003-85-6

COA

Grade & Purity:

≥98%

Cas Number: 1003-85-6
Molecular Weight: 150.196
MDL number: MFCD25954041
PubChem CID: 10877294
PubChem SID: 504765671

In stock

Item Number

D301920

Grouped product items
SKU	Size	Availability	Price
D301920-25g	25g	3	$162.90
D301920-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$447.90
D301920-500g	500g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,339.90

Basic Description

Synonyms	5,5-dimethyl-1,3,2-dioxathiane 2-oxide \| 1003-85-6 \| 5,5-Dimethyl-1,3,2lambda4-dioxathian-2-one \| 5,6-Dihydro-5,5-dimethyl-4H-1,3,2-dioxathiin 2-oxide \| 5,5-dimethyl-[1,3,2]dioxathiane 2-oxide \| SCHEMBL2158878 \| MBWNQWVADQDHDU-UHFFFAOYSA-N \| MFCD25954041 \| AKOS024462258 \|
Specifications & Purity	≥98%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Dioxathiolanes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Dioxathiolanes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Dioxathiolanes
Alternative Parents	Sulfite esters Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Dioxathiolane - Sulfite ester - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as dioxathiolanes. These are organic heterocyclic compounds containing a dioxathiolane, with a structure consisting of a five-membered saturated ring with one sulfur atom, two oxygen atoms, and two carbon atoms.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504765671
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504765671
IUPAC Name	5,5-dimethyl-1,3,2-dioxathiane 2-oxide
INCHI	InChI=1S/C5H10O3S/c1-5(2)3-7-9(6)8-4-5/h3-4H2,1-2H3
InChIKey	MBWNQWVADQDHDU-UHFFFAOYSA-N
Smiles	CC1(COS(=O)OC1)C
Isomeric SMILES	CC1(COS(=O)OC1)C
UN Number	1760
Packing Group	III
Molecular Weight	150.196
Reaxy-Rn	1237699
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1237699&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
H2025193	Certificate of Analysis	Jun 13, 2024	D301920
H2025192	Certificate of Analysis	Jun 13, 2024	D301920
G2306076	Certificate of Analysis	Jul 13, 2023	D301920

Chemical and Physical Properties

Molecular Weight	150.200 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	150.035 Da
Monoisotopic Mass	150.035 Da
Topological Polar Surface Area	54.700 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	120.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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