2-Mercaptopyridine N-oxide sodium salt (SPT) - ~40% in H2O , CAS No.3811-73-2

CAS: 3811-73-2 Cat. No.: M111102 Peso molecular: 149.15 Beilstein Registry Number: 4026050 Número EC: 223-296-5

GRADE & PURITY ~40% in H2O

Synonyms

N-Hydroxypyridinethione Sodium Salt | 2-Pyridinethiol 1-Oxide Sodium Salt

Storage

Protected from light,Room temperature,Argon charged,Desiccated,Cool

Shipped In

Normal

Specifications

Sinónimos

N-Hydroxypyridinethione Sodium Salt | 2-Pyridinethiol 1-Oxide Sodium Salt

Especificaciones y pureza

~40% in H2O

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature, Argon charged, Desiccated, Cool

Enviado en

Normal

Tipo de acción

INHIBITOR

Nombres e identificadores

• Pubchem Sid: 504752941
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752941
• Sonrisas canónicas: C1=CC(=S)N(C=C1)[O-].[Na+]
• IUPAC Name: sodium;1-oxidopyridine-2-thione
• InChIKey: XNRNJIIJLOFJEK-UHFFFAOYSA-N
• INCHI: 1S/C5H4NOS.Na/c7-6-4-2-1-3-5(6)8;/h1-4H;/q-1;+1
• Isómeros SMILES: C1=CC(=S)N(C=C1)[O-].[Na+]
• WGK Alemania: 3
• RTECS: UT9000000
• Peso molecular: 149.15
• Beilstein: 4026050
• Reaxy-Rn: 3598404
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3598404&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dihydropyridines
• Alternative Parents: Thiolactams Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridine - Heteroaromatic compound - Thiolactam - Azacycle - Organic alkali metal salt - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Miscible with ethanol, propylene glycol, polyethylene glycol and dimethyl sulfoxide. Immiscible with liquid paraffin and olive oil.
• Sensibilidad: Hygroscopic,light sensitive
• Punto de ebullición (°C): 109°C
• Punto de fusión (°C): -30--25°C
• Peso molecular: 149.150 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 148.991 Da
• Monoisotopic Mass: 148.991 Da
• Topological Polar Surface Area: 58.400 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 162.000
• 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

Referencias

1. Li Jing, Sun Lei, Yu ZhiMing, Song XiuXian.  (2016)  Investigation on the efficiency of a silicone antifouling coating in controlling the adhesion and germination of Ulva prolifera micro-propagules on rafts.  Science China-Earth Sciences,  60  (2): (391-396).  [PMID:] [10.1007/s11430-016-0018-x]

2. Wangcai Zou, Jun Cheng, Yingqiang Ou, Yiqing Deng, Qiang Zhao.  (2024)  Copper I-II-containing composites and coatings with high and broad-spectrum antimicrobial activity.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.155193]

3. Longnan Chen, Shenglong Wang, Jinlei Li, Mengyuan Hao, Lu Huang, Guangning Wang, Pengpei Chai, Changping Chen, Yahui Gao, Lijun Song, Junrong Liang.  (2025)  Mechanisms of diatom inhibition by a new antifouling biocide with broad-spectrum efficacy against bacteria, algae, and barnacles.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:40347753] [10.1016/j.scitotenv.2025.179602]

4. Rudong Zhou, Qifeng Zhao, Aomen Liu, Hui Xu, Yang Xu, Weijie Wang, Jicheng Han, Bo Liu, Muli Wang, Zhigang Di, Lei Miao, Yanhui Liu, Lei Guo.  (2026)  Inhibition and Mechanisms of Isothiazolinone and Layered Double Hydroxide–Sodium Pyrithione with Modified Hydrophobic Resin Membranes Against Pipeline Moss Fouling.  Polymers,  18  (5): (611).  [PMID:41829309] [10.3390/polym18050611]