3-(Chlorosulfonyl)-2-thiophenecarboxylic Acid Methyl Ester - ≥95% , CAS No.59337-92-7

CAS: 59337-92-7 Cat. No.: C467906 Molecular Weight: 240.67 EC Number: 627-732-9

GRADE & PURITY ≥95%

Synonyms

AS-10973 | Z168879932 | 2-carbomethoxy-thiophene-3-sulfonyl chloride | 2-carbomethoxythiophene-3-sulfonyl chloride | A832273 | AM20100446 | 2-(carbomethoxy)thiophene-3-sulfonyl chloride | 2-(Methoxycarbonyl)-3-thiophenesulfonyl Chloride | STK501472 | 2-Ca

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Description

2-Carbomethoxy-3-thiophenesulfonyl chloride is widely employed as a sulfonylating reagent. It can be prepared from methyl 3-amino-2-thiophenecarboxylate.

Specifications

Synonyms

AS-10973 | Z168879932 | 2-carbomethoxy-thiophene-3-sulfonyl chloride | 2-carbomethoxythiophene-3-sulfonyl chloride | A832273 | AM20100446 | 2-(carbomethoxy)thiophene-3-sulfonyl chloride | 2-(Methoxycarbonyl)-3-thiophenesulfonyl Chloride | STK501472 | 2-Ca

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488192837
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192837
• Canonical Smiles: COC(=O)C1=C(C=CS1)S(=O)(=O)Cl
• IUPAC Name: methyl 3-chlorosulfonylthiophene-2-carboxylate
• InChIKey: PJVJBDAUWILEOG-UHFFFAOYSA-N
• INCHI: 1S/C6H5ClO4S2/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3
• Isomeric SMILES: COC(=O)C1=C(C=CS1)S(=O)(=O)Cl
• Molecular Weight: 240.67
• Reaxy-Rn: 5814781
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5814781&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thiophenes
      • Subclass Thiophene carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thiophenes
• Subclass: Thiophene carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophene carboxylic acids and derivatives
• Alternative Parents: Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Thiophene carboxylic acid or derivatives - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiophene carboxylic acids and derivatives. These are compounds containing a thiophene ring which bears a carboxylic acid group (or a salt/ester thereof).
• External Descriptors: Not available

Data sources

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

Chemical and Physical Properties

• Solubility: souble in Toluene
• Sensitivity: Moisture sensitive
• Melt Point(°C): 63°C(lit.)
• Molecular Weight: 240.700 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 239.932 Da
• Monoisotopic Mass: 239.932 Da
• Topological Polar Surface Area: 97.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 294.000
• 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