Thieno[3,2-b]pyridin-7-ol - ≥96% , CAS No.107818-20-2

CAS: 107818-20-2 Cat. No.: T132099 Peso molecular: 151.19 Número EC: 626-962-7 PubChem CID: 5074765

GRADE & PURITY ≥96%

Synonyms

H1603 | FT-0649107 | FT-0732146 | AC-4399 | Q27466710 | SCHEMBL105581 | MFCD12964174 | J-524933 | FS-2637 | SY004858 | thieno[3,2-b]pyridin-7(4H)-one | Thieno-(3,2-B)-pyridin-7-ol | Thieno(3,2-B)pyridin-7-OL | THIENO(3 2-B)PYRIDIN-7-OL | 4H-thieno[3,2-b]p

Storage

Room temperature

Shipped In

Normal

Descripción general

It is a thienopyridine derivative.
It may be used in the synthesis of 7-bromothieno[3,2-b]pyridine.

Specifications

Sinónimos

H1603 | FT-0649107 | FT-0732146 | AC-4399 | Q27466710 | SCHEMBL105581 | MFCD12964174 | J-524933 | FS-2637 | SY004858 | thieno[3, 2-b]pyridin-7(4H)-one | Thieno-(3, 2-B)-pyridin-7-ol | Thieno(3, 2-B)pyridin-7-OL | THIENO(3 2-B)PYRIDIN-7-OL | 4H-thieno[3, 2-b]p

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504763211
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763211
• Sonrisas canónicas: C1=CNC2=C(C1=O)SC=C2
• IUPAC Name: 4H-thieno[3,2-b]pyridin-7-one
• InChIKey: AACVULYSNJAKEQ-UHFFFAOYSA-N
• INCHI: 1S/C7H5NOS/c9-6-1-3-8-5-2-4-10-7(5)6/h1-4H,(H,8,9)
• Isómeros SMILES: C1=CNC2=C(C1=O)SC=C2
• WGK Alemania: 3
• PubChem CID: 5074765
• Peso molecular: 151.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Thienopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Thienopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienopyridines
• Alternative Parents: Pyridines and derivatives Vinylogous amides Thiophenes Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienopyridine - Pyridine - Heteroaromatic compound - Vinylogous amide - Thiophene - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thienopyridines. These are heterocyclic compounds containing a thiophene ring fused to a pyridine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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 fusión (°C): 235 °C
• Peso molecular: 151.190 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 151.009 Da
• Monoisotopic Mass: 151.009 Da
• Topological Polar Surface Area: 57.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 190.000
• 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