5-Sulfamoylfuran-2-carboxylic acid - ≥97% , CAS No.98027-63-5

CAS: 98027-63-5 Cat. No.: A482512 Peso molecular: 191.16 Número EC: 852-044-2

GRADE & PURITY ≥97%

Synonyms

BS-13661 | EN300-36664 | FT-0755069 | A915377 | MFCD09037277 | 5-sulfamoylfuran-2-carboxylic acid | YDA02763 | SB60883 | Z367675904 | 5-(aminosulfonyl)-2-furoic acid | 5-sulfamoylfuran-2-carboxylicacid | AKOS004118529 | F19941 | 5-(aminosulfonyl)-2-furoic

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

BS-13661 | EN300-36664 | FT-0755069 | A915377 | MFCD09037277 | 5-sulfamoylfuran-2-carboxylic acid | YDA02763 | SB60883 | Z367675904 | 5-(aminosulfonyl)-2-furoic acid | 5-sulfamoylfuran-2-carboxylicacid | AKOS004118529 | F19941 | 5-(aminosulfonyl)-2-furoic

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504768586
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768586
• Sonrisas canónicas: C1=C(OC(=C1)S(=O)(=O)N)C(=O)O
• IUPAC Name: 5-sulfamoylfuran-2-carboxylic acid
• InChIKey: TWICVBFROQJBSY-UHFFFAOYSA-N
• INCHI: 1S/C5H5NO5S/c6-12(9,10)4-2-1-3(11-4)5(7)8/h1-2H,(H,7,8)(H2,6,9,10)
• Isómeros SMILES: C1=C(OC(=C1)S(=O)(=O)N)C(=O)O
• Peso molecular: 191.16
• Reaxy-Rn: 155616
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=155616&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Furans
• Subclass: Furoic acid and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Furoic acids
• Alternative Parents: Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Furoic acid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as furoic acids. These are organic compounds containing a furoic acid moiety, with a structure characterized by a furan ring bearing a carboxylic acid group at the C2 or C3 carbon atom.
• 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

Propiedades químicas y físicas

• Peso molecular: 191.160 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 190.989 Da
• Monoisotopic Mass: 190.989 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 279.000
• 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