5,6,7,8-Tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine - ≥97% , CAS No.14292-44-5

CAS: 14292-44-5 Cat. No.: T167266 Peso molecular: 168.26 Número EC: 802-959-8 PubChem CID: 4362935

GRADE & PURITY ≥97%

Synonyms

5,6,7,8-Tetrahydro-4H-cycloheptathiazol-2-ylamine | E80230 | DTXSID30402391 | 4H,5H,6H,7H,8H-cyclohepta[d][1,3]thiazol-2-amine | 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-ylamine | RTUODTFOELDCNI-UHFFFAOYSA-N | MS-2904 | AO-080/43379320 | MFCD0266

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

5, 6, 7, 8-Tetrahydro-4H-cycloheptathiazol-2-ylamine | E80230 | DTXSID30402391 | 4H, 5H, 6H, 7H, 8H-cyclohepta[d][1, 3]thiazol-2-amine | 5, 6, 7, 8-tetrahydro-4H-cyclohepta[d][1, 3]thiazol-2-ylamine | RTUODTFOELDCNI-UHFFFAOYSA-N | MS-2904 | AO-080/43379320 | MFCD0266

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: C1CCC2=C(CC1)SC(=N2)N
• IUPAC Name: 5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-amine
• InChIKey: RTUODTFOELDCNI-UHFFFAOYSA-N
• INCHI: 1S/C8H12N2S/c9-8-10-6-4-2-1-3-5-7(6)11-8/h1-5H2,(H2,9,10)
• Isómeros SMILES: C1CCC2=C(CC1)SC(=N2)N
• WGK Alemania: 3
• PubChem CID: 4362935
• Peso molecular: 168.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Thiazoles
        • Level5 Aminothiazoles
          • Level6 2-amino-1,3-thiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Aminothiazoles
• Direct Parent: 2-amino-1,3-thiazoles
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-thiazol-2-amine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2-amino-1,3-thiazoles. These are compounds containing a 1,3-thiazole ring substituted by an amine group at the 2-position.
• 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

• Punto de inflamación (°F): 307.4 °F
• Punto de inflamación (°C): 153 °C
• Peso molecular: 168.260 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 168.072 Da
• Monoisotopic Mass: 168.072 Da
• Topological Polar Surface Area: 67.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 140.000
• 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