2-Amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile - ≥95% , CAS No.24237-37-4

CAS: 24237-37-4 Cat. No.: A183088 Molecular Weight: 269.4

GRADE & PURITY ≥95%

Synonyms

24237-37-4|2-Amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile|2-amino-6-benzyl-4,5,6,7-tetrahydro-thieno-[2,3-c]pyridine-3-carbonitrile|2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile|2-Amino-6-benzyl-4,5,6,7-tetr

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

24237-37-4 | 2-Amino-6-benzyl-4, 5, 6, 7-tetrahydrothieno[2, 3-c]pyridine-3-carbonitrile | 2-amino-6-benzyl-4, 5, 6, 7-tetrahydro-thieno-[2, 3-c]pyridine-3-carbonitrile | 2-amino-6-benzyl-5, 7-dihydro-4H-thieno[2, 3-c]pyridine-3-carbonitrile | 2-Amino-6-benzyl-4, 5, 6, 7-tetr

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CN(CC2=C1C(=C(S2)N)C#N)CC3=CC=CC=C3
• IUPAC Name: 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
• InChIKey: BWNBNBHFRHCKTK-UHFFFAOYSA-N
• INCHI: 1S/C15H15N3S/c16-8-13-12-6-7-18(10-14(12)19-15(13)17)9-11-4-2-1-3-5-11/h1-5H,6-7,9-10,17H2
• Isomeric SMILES: C1CN(CC2=C1C(=C(S2)N)C#N)CC3=CC=CC=C3
• Molecular Weight: 269.4
• Reaxy-Rn: 1080892
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1080892&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Thienopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Thienopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thienopyridines
• Alternative Parents: 3,4,5-trisubstituted-2-aminothiophenes Phenylmethylamines Benzylamines Aralkylamines Heteroaromatic compounds Trialkylamines Nitriles Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienopyridine - 3,4,5-trisubstituted-2-aminothiophene - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - 2-aminothiophene - Heteroaromatic compound - Thiophene - Tertiary amine - Tertiary aliphatic amine - Nitrile - Carbonitrile - Azacycle - Amine - Primary amine - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 269.400 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 269.099 Da
• Monoisotopic Mass: 269.099 Da
• Topological Polar Surface Area: 81.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 358.000
• 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