Methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate - ≥95% , CAS No.111042-89-8

CAS: 111042-89-8 Cat. No.: M189691 Peso molecular: 208.24 Número EC: 672-258-8

GRADE & PURITY ≥95%

Synonyms

methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate|111042-89-8|methyl 3-aminothiopheno[2,3-b]pyridine-2-carboxylate|MFCD00174679|3-Aminothieno[2,3-b]pyridine-2-carboxylic acid methyl ester|Methyl-3-aminothiopheno[2,3-b]pyridine-2-carboxylate|Dimethyl2-meth

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

methyl 3-aminothieno[2, 3-b]pyridine-2-carboxylate | 111042-89-8 | methyl 3-aminothiopheno[2, 3-b]pyridine-2-carboxylate | MFCD00174679 | 3-Aminothieno[2, 3-b]pyridine-2-carboxylic acid methyl ester | Methyl-3-aminothiopheno[2, 3-b]pyridine-2-carboxylate | Dimethyl2-meth

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488194078
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194078
• Sonrisas canónicas: COC(=O)C1=C(C2=C(S1)N=CC=C2)N
• IUPAC Name: methyl 3-aminothieno[2,3-b]pyridine-2-carboxylate
• InChIKey: STCNNBXPNILVDE-UHFFFAOYSA-N
• INCHI: 1S/C9H8N2O2S/c1-13-9(12)7-6(10)5-3-2-4-11-8(5)14-7/h2-4H,10H2,1H3
• Isómeros SMILES: COC(=O)C1=C(C2=C(S1)N=CC=C2)N
• Peso molecular: 208.24
• Reaxy-Rn: 4434142
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4434142&ln=

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: Thiophene carboxylic acids and derivatives Pyridines and derivatives Aminothiophenes Vinylogous amides Methyl esters Heteroaromatic compounds Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienopyridine - Thiophene carboxylic acid or derivatives - Aminothiophene - Pyridine - Thiophene - Heteroaromatic compound - Methyl ester - Vinylogous amide - Amino acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - 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

• Peso molecular: 208.240 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 208.031 Da
• Monoisotopic Mass: 208.031 Da
• Topological Polar Surface Area: 93.500 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 237.000
• 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