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3-methyl-3-methylsulfonyl-but-1-yne - 97%, high purity , CAS No.2109226-54-0

COA

Grade & Purity:

≥97%

Cas Number: 2109226-54-0
Molecular Weight: 146.21
PubChem CID: 14241469

In stock

Item Number

M631684

Grouped product items
SKU	Size	Availability	Price
M631684-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$97.90
M631684-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$157.90
M631684-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$288.90
M631684-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$576.90

Basic Description

Synonyms	2109226-54-0 \| 3-Methyl-3-(methylsulfonyl)but-1-yne \| 3-methanesulfonyl-3-methylbut-1-yne \| 3-Methyl-3-(methylsulfonyl)-1-butyne \| 3-methyl-3-methylsulfonylbut-1-yne \| SCHEMBL14351697 \| 3-methyl-3-methylsulfonyl-but-1-yne \| AKOS040766062 \| AT19835 \| PB488
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Sulfonyls
    - Subclass Sulfones

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Sulfonyls
Subclass	Sulfones
Intermediate Tree Nodes	Not available
Direct Parent	Sulfones
Alternative Parents	Acetylides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Sulfone - Acetylide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as sulfones. These are compounds containing a sulfonyl group( which as the general structure RS(=O)2R' (R,R' =alkyl, aryl)) attached to 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

IUPAC Name	3-methyl-3-methylsulfonylbut-1-yne
INCHI	InChI=1S/C6H10O2S/c1-5-6(2,3)9(4,7)8/h1H,2-4H3
InChIKey	TVWUIROEZGTISF-UHFFFAOYSA-N
Smiles	CC(C)(C#C)S(=O)(=O)C
Isomeric SMILES	CC(C)(C#C)S(=O)(=O)C
PubChem CID	14241469
Molecular Weight	146.21

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	146.210 g/mol
XLogP3	0.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	146.04 Da
Monoisotopic Mass	146.04 Da
Topological Polar Surface Area	42.500 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	232.000
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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