Home Sulfos Ethyl p-toluenesulfonate

Ethyl p-toluenesulfonate

CAS No.:
80-40-0
Catalog Number:
AG003QBE
Molecular Formula:
C9H12O3S
Molecular Weight:
200.2548
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$19
- +
100g
95%
In Stock USA
United States
$50
- +
500g
95%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003QBE
Chemical Name:
Ethyl p-toluenesulfonate
CAS Number:
80-40-0
Molecular Formula:
C9H12O3S
Molecular Weight:
200.2548
MDL Number:
MFCD20691064
IUPAC Name:
ethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
InChI Key:
VRZVPALEJCLXPR-UHFFFAOYSA-N
SMILES:
CCOS(=O)(=O)c1ccc(cc1)C
EC Number:
201-276-7
UNII:
2160N0YURF
NSC Number:
8887
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.051g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.252g/mol
Monoisotopic Mass:
200.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Design and synthesis of an ¹⁸F-labeled version of phenylethyl orvinol ([¹⁸F]FE-PEO) for PET-imaging of opioid receptors. Molecules (Basel, Switzerland) 20120928
A Sensitive and Simple HPLC-UV Method for Trace Level Quantification of Ethyl p-Toluenesulfonate and Methyl p-Toluenesulfonate, Two Potential Genotoxins in Active Pharmaceutical Ingredients. Scientia pharmaceutica 20110101
Determining the transition-state structure for different SN2 reactions using experimental nucleophile carbon and secondary alpha-deuterium kinetic isotope effects and theory. The journal of physical chemistry. A 20081016
Synthesis and Biological Analysis of Thiotetra(ethylene glycol) monomethyl Ether-Functionalized Porphyrazines: Cellular Uptake and Toxicity Studies. Metal-based drugs 20080101
Theory and use of the pseudophase model in gas-liquid chromatographic enantiomeric separations. Analytical chemistry 20060101
Structure-activity considerations and in vitro approaches to assess the genotoxicity of 19 methane-, benzene- and toluenesulfonic acid esters. Mutation research 20050307
Development of a new radioligand, N-(5-fluoro-2-phenoxyphenyl)-N-(2-[18F]fluoroethyl-5-methoxybenzyl)acetamide, for pet imaging of peripheral benzodiazepine receptor in primate brain. Journal of medicinal chemistry 20040422
Properties