Thieno[3,2-d][1,3]thiazol-2-amine - ≥95% , CAS No.66646-11-5

CAS: 66646-11-5 Cat. No.: T961993 Número EC: 108-319-8 PubChem CID: 12415431

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=CSC2=C1N=C(S2)N
• IUPAC Name: thieno[3,2-d][1,3]thiazol-2-amine
• InChIKey: LSMRPDKQKVTVNE-UHFFFAOYSA-N
• INCHI: 1S/C5H4N2S2/c6-5-7-3-1-2-8-4(3)9-5/h1-2H,(H2,6,7)
• Isómeros SMILES: C1=CSC2=C1N=C(S2)N
• PubChem CID: 12415431

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Thienothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thienothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienothiazoles
• Alternative Parents: 2-amino-1,3-thiazoles Thiophenes Heteroaromatic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienothiazole - 1,3-thiazol-2-amine - Heteroaromatic compound - Thiophene - Thiazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thienothiazoles. These are heterocyclic compounds containing a thiophene ring fused to a thiazole. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. 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: 156.200 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 155.982 Da
• Monoisotopic Mass: 155.982 Da
• Topological Polar Surface Area: 95.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 120.000
• 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