2-Aminothiazole-5-sulfonamide - ≥95% , CAS No.63735-95-5

CAS: 63735-95-5 Cat. No.: A1071475 Molecular Weight: 179.22 EC Number: 173-843-6 PubChem CID: 21957433

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1=C(SC(=N1)N)S(=O)(=O)N
• IUPAC Name: 2-amino-1,3-thiazole-5-sulfonamide
• InChIKey: VGYHEIFRKKUZTD-UHFFFAOYSA-N
• INCHI: 1S/C3H5N3O2S2/c4-3-6-1-2(9-3)10(5,7)8/h1H,(H2,4,6)(H2,5,7,8)
• Isomeric SMILES: C1=C(SC(=N1)N)S(=O)(=O)N
• PubChem CID: 21957433
• Molecular Weight: 179.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 2,5-disubstituted thiazoles
• Alternative Parents: Organosulfonamides 2-amino-1,3-thiazoles Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,5-disubstituted 1,3-thiazole - Organosulfonic acid amide - 1,3-thiazol-2-amine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Azacycle - Organic oxygen compound - Amine - Organic nitrogen compound - Primary amine - Organonitrogen compound - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2,5-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at positions 2 and 5 only.
• 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: 179.200 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 178.982 Da
• Monoisotopic Mass: 178.982 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 208.000
• 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