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1，2-Oxathiolan-5-one 2，2-dioxide - ≥95%, high purity , CAS No.5961-88-6

COA

Grade & Purity:

≥95%

Cas Number: 5961-88-6
Molecular Weight: 136.12
PubChem CID: 80064

In stock

Item Number

O694695

Grouped product items
SKU	Size	Availability	Price	Qty
O694695-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,872.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Oxathiolanes
    - Subclass Gamma sultones

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Oxathiolanes
Subclass	Gamma sultones
Intermediate Tree Nodes	Not available
Direct Parent	Gamma sultones
Alternative Parents	Organosulfonic acids and derivatives Carboxylic acid salts Oxacyclic compounds Monocarboxylic acids and derivatives Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Gamma-sultone - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid salt - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as gamma sultones. These are organic compounds containing a gamma-sultone, a Intramolecular cyclic ester of hydroxy sulfonic acid, with a SO ring bond, and three ring 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

IUPAC Name	2,2-dioxooxathiolan-5-one
INCHI	InChI=1S/C3H4O4S/c4-3-1-2-8(5,6)7-3/h1-2H2
InChIKey	RVLHNHNPUBWSEE-UHFFFAOYSA-N
Smiles	C1CS(=O)(=O)OC1=O
Isomeric SMILES	C1CS(=O)(=O)OC1=O
PubChem CID	80064
Molecular Weight	136.12

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	136.130 g/mol
XLogP3	-0.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	135.983 Da
Monoisotopic Mass	135.983 Da
Topological Polar Surface Area	68.800 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	196.000
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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