ethyl 5-sulfamoylfuran-3-carboxylate - ≥97% , CAS No.256373-94-1

CAS: 256373-94-1 Cat. No.: E679533 Molecular Weight: 219.22 EC Number: 972-661-1 PubChem CID: 10176806

GRADE & PURITY ≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCOC(=O)C1=COC(=C1)S(=O)(=O)N
• IUPAC Name: ethyl 5-sulfamoylfuran-3-carboxylate
• InChIKey: GBHAFGOYZSOQFH-UHFFFAOYSA-N
• INCHI: 1S/C7H9NO5S/c1-2-12-7(9)5-3-6(13-4-5)14(8,10)11/h3-4H,2H2,1H3,(H2,8,10,11)
• Isomeric SMILES: CCOC(=O)C1=COC(=C1)S(=O)(=O)N
• PubChem CID: 10176806
• Molecular Weight: 219.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Furans
      • Subclass Furoic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Furans
• Subclass: Furoic acid and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Furoic acid esters
• Alternative Parents: Furan-3-carboxylic acid esters Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Carboxylic acid esters Oxacyclic compounds Organooxygen compounds Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Furoic acid ester - Furan-3-carboxylic acid ester - Furan-3-carboxylic acid or derivatives - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as furoic acid esters. These are ester derivatives of furoic acid.
• 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

• Molecular Weight: 219.220 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 219.02 Da
• Monoisotopic Mass: 219.02 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 307.000
• 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