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(1,1-dioxo-1λ⁶-thian-4-yl)methyl methanesulfonate - 97%, high purity , CAS No.1010836-46-0

COA

Grade & Purity:

≥97%

Cas Number: 1010836-46-0
Molecular Weight: 242.3
PubChem CID: 89835799

In stock

Item Number

M626523

Grouped product items
SKU	Size	Availability	Price
M626523-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$128.90
M626523-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$213.90
M626523-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$320.90
M626523-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,286.90
M626523-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,571.90

Basic Description

Synonyms	1010836-46-0 \| (1,1-dioxidotetrahydro-2H-thiopyran-4-yl)methyl methanesulfonate \| (1,1-dioxo-1lambda-thian-4-yl)methyl methanesulfonate \| (1,1-Dioxotetrahydrothiopyran-4-yl)methyl methanesulfonate \| (1,1-dioxothian-4-yl)methyl methanesulfonate \| SCHEMBL15
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Thianes

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Thianes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Thianes
Alternative Parents	Sulfonic acid esters Organosulfonic acid esters Sulfones Methanesulfonates Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Thiane - Organosulfonic acid ester - Sulfonic acid ester - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfone - Methanesulfonate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as thianes. These are heterocyclic compounds containing a saturated six-member ring with five carbon atoms and one sulfur atom.
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	(1,1-dioxothian-4-yl)methyl methanesulfonate
INCHI	InChI=1S/C7H14O5S2/c1-13(8,9)12-6-7-2-4-14(10,11)5-3-7/h7H,2-6H2,1H3
InChIKey	ZWKYFGFSMWFNTE-UHFFFAOYSA-N
Smiles	CS(=O)(=O)OCC1CCS(=O)(=O)CC1
Isomeric SMILES	CS(=O)(=O)OCC1CCS(=O)(=O)CC1
PubChem CID	89835799
Molecular Weight	242.3

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	242.300 g/mol
XLogP3	-0.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	242.028 Da
Monoisotopic Mass	242.028 Da
Topological Polar Surface Area	94.300 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	355.000
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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