4,5,6,7-Tetrahydrothieno[3,2-c]pyridine Hydrochloride - ≥98%(HPLC) , CAS No.28783-41-7

CAS: 28783-41-7 Cat. No.: T137162 Molecular Weight: 175.67 EC Number: 249-220-0 PubChem CID: 10176342

GRADE & PURITY ≥98%(HPLC)

Synonyms

QMXCTKPNQFJZGK-UHFFFAOYSA-N | Q-200418 | THIENO(3,2-C)PYRIDINE, 4,5,6,7-TETRAHYDRO-, HYDROCHLORIDE (1:1) | SY002037 | T2770 | 4,5,6,7-Tetrahydrothieno [3,2,c]pyridine hydrochloride | 4,5,6,7-Tetrahydrothieno[3,2-c]pyridine hydrochloride | F2145-0241 | SB1

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

QMXCTKPNQFJZGK-UHFFFAOYSA-N | Q-200418 | THIENO(3, 2-C)PYRIDINE, 4, 5, 6, 7-TETRAHYDRO-, HYDROCHLORIDE (1:1) | SY002037 | T2770 | 4, 5, 6, 7-Tetrahydrothieno [3, 2, c]pyridine hydrochloride | 4, 5, 6, 7-Tetrahydrothieno[3, 2-c]pyridine hydrochloride | F2145-0241 | SB1

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488196568
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196568
• Canonical Smiles: C1CNCC2=C1SC=C2.Cl
• IUPAC Name: 4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride
• InChIKey: QMXCTKPNQFJZGK-UHFFFAOYSA-N
• INCHI: 1S/C7H9NS.ClH/c1-3-8-5-6-2-4-9-7(1)6;/h2,4,8H,1,3,5H2;1H
• Isomeric SMILES: C1CNCC2=C1SC=C2.Cl
• PubChem CID: 10176342
• Molecular Weight: 175.67
• Reaxy-Rn: 4153301

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 Hydrochlorides 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 - Hydrochloride - 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

Chemical and Physical Properties

• Solubility: Soluble in water
• Melt Point(°C): 228 °C
• Molecular Weight: 175.680 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 175.022 Da
• Monoisotopic Mass: 175.022 Da
• Topological Polar Surface Area: 40.300 Ų
• Heavy Atom Count: 10
• 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: 2

XLogP3