4-Chlorothieno[2,3-b]pyridine - ≥96% , CAS No.62226-17-9

CAS: 62226-17-9 Cat. No.: C589683 Formula: C₇H₄ClNS Peso molecolare: 169.63 Numero EC: 800-387-3

GRADE & PURITY ≥96%

Synonyms

AKOS015898648 | SCHEMBL2919086 | Thieno[2,3-b]pyridine, 4-chloro- | SB13667 | SY232371 | MFCD11858513 | 4-Chloro-thieno[2,3-b]pyridine | 4-Chlorothieno[2,3-b]pyridine | FT-0692465 | DTXSID30344580

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

AKOS015898648 | SCHEMBL2919086 | Thieno[2,3-b]pyridine, 4-chloro- | SB13667 | SY232371 | MFCD11858513 | 4-Chloro-thieno[2,3-b]pyridine | 4-Chlorothieno[2,3-b]pyridine | FT-0692465 | DTXSID30344580

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥96%

Nomi e identificatori

Pubchem Sid

504759447

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759447

Sorrisi canonici

C1=CN=C2C(=C1Cl)C=CS2

IUPAC Name

4-chlorothieno[2,3-b]pyridine

InChIKey

QWAORBHZRDAYQE-UHFFFAOYSA-N

INCHI

1S/C7H4ClNS/c8-6-1-3-9-7-5(6)2-4-10-7/h1-4H

Isomeri SMILES

C1=CN=C2C(=C1Cl)C=CS2

CAS alternativo

62226-17-9

Peso molecolare

169.63

Reaxy-Rn

1210404

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1210404&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Thienopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Thienopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienopyridines
• Alternative Parents: Pyridines and derivatives Aryl chlorides Thiophenes Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienopyridine - Pyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Thiophene - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 169.630 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 168.975 Da
• Monoisotopic Mass: 168.975 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