3-Bromothieno[3,2-b]pyridine - ≥97% , CAS No.94191-12-5

CAS: 94191-12-5 Cat. No.: B635243 Summenformel: C₇H₄BrNS Molekulargewicht: 214.08 EG-Nummer: 189-028-3 PubChem CID: 13220428

GRADE & PURITY ≥97%

Synonyms

3-Bromo-thieno[3,2-b]pyridine

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

3-Bromo-thieno[3,2-b]pyridine

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

528758952

Kanonisches Lächeln

C1=CC2=C(C(=CS2)Br)N=C1

IUPAC Name

3-bromothieno[3,2-b]pyridine

InChIKey

TYQIGSHNHLULNO-UHFFFAOYSA-N

INCHI

1S/C7H4BrNS/c8-5-4-10-6-2-1-3-9-7(5)6/h1-4H

Isomere SMILES

C1=CC2=C(C(=CS2)Br)N=C1

Alternative CAS-Nummer

94191-12-5

PubChem CID

13220428

Molekulargewicht

214.08

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Thienopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Thienopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienopyridines
• Alternative Parents: Pyridines and derivatives Aryl bromides Thiophenes Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienopyridine - Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Thiophene - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 214.080 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 212.925 Da
• Monoisotopic Mass: 212.925 Da
• Topological Polar Surface Area: 41.100 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