8-Mercaptoquinoline Hydrochloride [Extraction-spectrophotometric and fluorimetric reagent for soft metals] - ≥95%(T) , CAS No.34006-16-1

CAS: 34006-16-1 Cat. No.: M158024 Molecular Weight: 197.68 EC Number: 251-785-3

GRADE & PURITY ≥95%(T)

Synonyms

AKOS015897062 | F2167-9499 | J-019416 | Quinoline-8-thiol hydrochloride | quinoline-8-thiolhydrochloride | 8-Quinolinethiol hydrochloride, 97% | SCHEMBL1333579 | 8-MERCAPTOQUINOLINE HCL | EINECS 251-785-3 | T70794 | 8-Mercaptoquinolinehydrochloride | Thio

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

8-Quinolinethiol hydrochloride may be used in the synthesis of N2S2-donor tetradentate ligands.

Specifications

Synonyms

AKOS015897062 | F2167-9499 | J-019416 | Quinoline-8-thiol hydrochloride | quinoline-8-thiolhydrochloride | 8-Quinolinethiol hydrochloride, 97% | SCHEMBL1333579 | 8-MERCAPTOQUINOLINE HCL | EINECS 251-785-3 | T70794 | 8-Mercaptoquinolinehydrochloride | Thio

Specifications & Purity

≥95%(T)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥95%(T)

Names and Identifiers

• Pubchem Sid: 504762403
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762403
• Canonical Smiles: C1=CC2=C(C(=C1)S)N=CC=C2.Cl
• IUPAC Name: quinoline-8-thiol;hydrochloride
• InChIKey: RWBSBQAUAJSGHY-UHFFFAOYSA-N
• INCHI: 1S/C9H7NS.ClH/c11-8-5-1-3-7-4-2-6-10-9(7)8;/h1-6,11H;1H
• Isomeric SMILES: C1=CC2=C(C(=C1)S)N=CC=C2.Cl
• WGK Germany: 3
• Molecular Weight: 197.68
• Reaxy-Rn: 3694939
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3694939&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Thiophenols Pyridines and derivatives Heteroaromatic compounds Azacyclic compounds Thiols Organonitrogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Thiophenol - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Arylthiol - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organosulfur compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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: ethanol: soluble 50 mg/mL, clear, dark orange-brown
• Sensitivity: Light & air sensitive
• Melt Point(°C): 165°C
• Molecular Weight: 197.690 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 197.007 Da
• Monoisotopic Mass: 197.007 Da
• Topological Polar Surface Area: 13.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 138.000
• 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