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1-Chloro-3-methanesulfonyl-propane - ≥98%, high purity , CAS No.54533-11-8

COA

Grade & Purity:

≥98%

Cas Number: 54533-11-8
Molecular Weight: 156.63
PubChem CID: 13875042

In stock

Item Number

C727727

Grouped product items
SKU	Size	Availability	Price	Qty
C727727-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$551.90

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	Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Sulfone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - 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	1-chloro-3-methylsulfonylpropane
INCHI	InChI=1S/C4H9ClO2S/c1-8(6,7)4-2-3-5/h2-4H2,1H3
InChIKey	YMLUGIXGNODJEE-UHFFFAOYSA-N
Smiles	CS(=O)(=O)CCCCl
Isomeric SMILES	CS(=O)(=O)CCCCl
PubChem CID	13875042
Molecular Weight	156.63

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	156.630 g/mol
XLogP3	0.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	156.001 Da
Monoisotopic Mass	156.001 Da
Topological Polar Surface Area	42.500 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	133.000
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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