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S-Methyl 4-methylbenzenesulfonothioate - ≥95%, high purity , CAS No.4973-66-4

COA

Grade & Purity:

≥95%

Cas Number: 4973-66-4
Molecular Weight: 202.3
PubChem CID: 78672

In stock

Item Number

S735696

Grouped product items
SKU	Size	Availability	Price
S735696-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$286.90
S735696-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$485.90
S735696-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,311.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Toluenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Toluenes
Intermediate Tree Nodes	Not available
Direct Parent	Tosyl compounds
Alternative Parents	Benzenesulfonyl compounds Sulfonyls Sulfenyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Tosyl compound - Benzenesulfonyl group - Sulfonyl - Sulfenyl compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as tosyl compounds. These are organosulfur compounds containing a tosyl group, with the general formula CH3C6H4S(O2)R (R = any 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-methyl-4-methylsulfanylsulfonylbenzene
INCHI	InChI=1S/C8H10O2S2/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3
InChIKey	YSAGJMNZJWNJOL-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)SC
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)SC
PubChem CID	78672
Molecular Weight	202.3

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	202.300 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	202.012 Da
Monoisotopic Mass	202.012 Da
Topological Polar Surface Area	67.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	220.000
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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