4,5,6,7-Tetrahydrothieno[3,2-c]pyridine - ≥98%(GC) , CAS No.54903-50-3

CAS: 54903-50-3 Cat. No.: T135979 Molecular Weight: 139.22 EC Number: 259-389-2 PubChem CID: 3085076

GRADE & PURITY ≥98%(GC)

Synonyms

I3AKK727FU | STL483691 | 4,5,6,7-tetrahydro thieno [3,2-c]pyridine | BDBM50227516 | AM20090735 | A5428 | SCHEMBL2851182 | 4,5,6,7-Tetrahydrothieno(3,2-c)pyridine | 4,5,6,7-tetrahydro-thieno[3,2-c]pyridine | 4,5,6,7-Tetrahydrothieno[3,2-c]pyridine | PCR066

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

I3AKK727FU | STL483691 | 4, 5, 6, 7-tetrahydro thieno [3, 2-c]pyridine | BDBM50227516 | AM20090735 | A5428 | SCHEMBL2851182 | 4, 5, 6, 7-Tetrahydrothieno(3, 2-c)pyridine | 4, 5, 6, 7-tetrahydro-thieno[3, 2-c]pyridine | 4, 5, 6, 7-Tetrahydrothieno[3, 2-c]pyridine | PCR066

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(GC)

Names and Identifiers

• Canonical Smiles: C1CNCC2=C1SC=C2
• IUPAC Name: 4,5,6,7-tetrahydrothieno[3,2-c]pyridine
• InChIKey: OGUWOLDNYOTRBO-UHFFFAOYSA-N
• INCHI: 1S/C7H9NS/c1-3-8-5-6-2-4-9-7(1)6/h2,4,8H,1,3,5H2
• Isomeric SMILES: C1CNCC2=C1SC=C2
• PubChem CID: 3085076
• Molecular Weight: 139.22
• Reaxy-Rn: 1209860

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: Aralkylamines Pyridines and derivatives Thiophenes Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Thienopyridine - Aralkylamine - Pyridine - Heteroaromatic compound - Thiophene - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - 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

Associated Targets(Human)

PNMT Tchem Phenylethanolamine N-methyltransferase (540 Activities)

Discover Target: PNMT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Staphylococcus aureus (210822 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air Sensitive,Heat Sensitive
• Refractive Index: 1.59
• Flash Point(°C): 101 °C
• Boil Point(°C): 75 °C/0.5 mmHg
• Molecular Weight: 139.220 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 139.046 Da
• Monoisotopic Mass: 139.046 Da
• Topological Polar Surface Area: 40.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 105.000
• 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