2-(2-Pyridinyldithio)ethanol - ≥95% , CAS No.111625-28-6

CAS: 111625-28-6 Cat. No.: P404961 Molecular Weight: 187.28 EC Number: 631-203-8 PubChem CID: 3653053

GRADE & PURITY ≥95%

Synonyms

P2819 | 2-(pyridin-2-yldisulfanyl)ethanol | 2-(2-pyridyldisulfanyl)ethanol | (2-pyridyldithio)-PEG1-hydrazine | SCHEMBL126713 | PD171133 | Ethanol, 2-(2-pyridinyldithio)- | HydroxyethylpyridYl Disulfide | A901855 | PORTXTUJPQINJC-UHFFFAOYSA-N | AMY21424 |

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Maximum Absorption Wavelength:281(CH3CN)nm

Specifications

Synonyms

P2819 | 2-(pyridin-2-yldisulfanyl)ethanol | 2-(2-pyridyldisulfanyl)ethanol | (2-pyridyldithio)-PEG1-hydrazine | SCHEMBL126713 | PD171133 | Ethanol, 2-(2-pyridinyldithio)- | HydroxyethylpyridYl Disulfide | A901855 | PORTXTUJPQINJC-UHFFFAOYSA-N | AMY21424 |

Specifications & Purity

≥95%

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

≥95%

Names and Identifiers

• Pubchem Sid: 488194495
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194495
• Canonical Smiles: C1=CC=NC(=C1)SSCCO
• IUPAC Name: 2-(pyridin-2-yldisulfanyl)ethanol
• InChIKey: PORTXTUJPQINJC-UHFFFAOYSA-N
• INCHI: 1S/C7H9NOS2/c9-5-6-10-11-7-3-1-2-4-8-7/h1-4,9H,5-6H2
• Isomeric SMILES: C1=CC=NC(=C1)SSCCO
• PubChem CID: 3653053
• Molecular Weight: 187.28
• Reaxy-Rn: 4178649

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Organic disulfides Sulfenyl compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Organic disulfide - Azacycle - Sulfenyl compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

• Sensitivity: Air Sensitive,Heat Sensitive
• Flash Point(°C): 149 °C
• Molecular Weight: 187.300 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 187.013 Da
• Monoisotopic Mass: 187.013 Da
• Topological Polar Surface Area: 83.700 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 102.000
• 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

References

1. Kai Wang, Ruling Zhang, Chunan Wang, Danfeng Peng, Zixuan Wu, Xiaolong Liang, Dalin Wu, Xintao Shuai, Shengjun Huo, Zhong Cao.  (2025)  Dysprosium(III)-Doped Nanotheranostic Agent for Ultra-High-Field MR Imaging-Guided Hepatocellular Carcinoma Therapy.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.5c00993]