Thiazolo[3,2-b][1,2,4]triazol-6-ylmethanamine - ≥95% , CAS No.1219905-66-4

CAS: 1219905-66-4 Cat. No.: T976191 Peso molecular: 154.200

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=C(N2C(=NC=N2)S1)CN
• IUPAC Name: [1,3]thiazolo[3,2-b][1,2,4]triazol-6-ylmethanamine
• InChIKey: XPWSONRJGGBKMM-UHFFFAOYSA-N
• INCHI: 1S/C5H6N4S/c6-1-4-2-10-5-7-3-8-9(4)5/h2-3H,1,6H2
• Peso molecular: 154.200

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Triazolothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Triazolothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazolothiazoles
• Alternative Parents: Aralkylamines Triazoles Thiazoles Heteroaromatic compounds Azacyclic compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Triazolothiazole - Aralkylamine - Heteroaromatic compound - 1,2,4-triazole - Thiazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as triazolothiazoles. These are polycyclic compounds containing a triazole ring fused to a thiazole ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Thiazole is a 6-membered ring that contains both sulfur and nitrogen.
• 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: 154.200 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 154.031 Da
• Monoisotopic Mass: 154.031 Da
• Topological Polar Surface Area: 84.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 131.000
• 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