4-Mercaptopyridine - ≥96% , CAS No.4556-23-4

CAS: 4556-23-4 Cat. No.: M118290 Molecular Weight: 111.16 Beilstein Registry Number: 21(2)35 EC Number: 224-926-1

GRADE & PURITY ≥96%

Synonyms

4-Pyridinethione | 4(1H)-Pyridinethione | Pyridine-4(1H)-thione | EINECS 224-926-1 | SCHEMBL73739 | EN300-100322 | 1-Methylindoline-5-sulfonyl chloride? | 4-PYRIDINETHIOL | BRN 0105869 | M0630 | MFCD00006422 | BRN 0105392 | FG-0489 | 4-Thiopyridine | AKOS

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

It is used as a probe molecule to study the performance of the gold nanorod (AuNR)/polycaprolactone (PCL) fibrous mesh.

Specifications

Synonyms

4-Pyridinethione | 4(1H)-Pyridinethione | Pyridine-4(1H)-thione | EINECS 224-926-1 | SCHEMBL73739 | EN300-100322 | 1-Methylindoline-5-sulfonyl chloride? | 4-PYRIDINETHIOL | BRN 0105869 | M0630 | MFCD00006422 | BRN 0105392 | FG-0489 | 4-Thiopyridine | AKOS

Specifications & Purity

≥96%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504760826
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760826
• Canonical Smiles: C1=CNC=CC1=S
• IUPAC Name: 1H-pyridine-4-thione
• InChIKey: FHTDDANQIMVWKZ-UHFFFAOYSA-N
• INCHI: 1S/C5H5NS/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)
• Isomeric SMILES: C1=CNC=CC1=S
• WGK Germany: 3
• RTECS: UT8578000
• Molecular Weight: 111.16
• Beilstein: 21(2)35
• Reaxy-Rn: 105392
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105392&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dihydropyridines
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dihydropyridines. These are compounds containing a dihydropyridine moiety, which is a semi-saturated pyridine derivative with two double bonds.
• 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(non-human)

J774.A1 (2436 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

• Solubility: Soluble in Methanol
• Sensitivity: Heat and Air Sensitive
• Melt Point(°C): 180°C
• Molecular Weight: 111.170 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 111.014 Da
• Monoisotopic Mass: 111.014 Da
• Topological Polar Surface Area: 44.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 121.000
• 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

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