3-Nitro-2-pyridinethiol - ≥96% , CAS No.38240-29-8

CAS: 38240-29-8 Cat. No.: N120467 Summenformel: C₅H₄N₂O₂S Molekulargewicht: 156.16 EG-Nummer: 684-480-2

GRADE & PURITY ≥96%

Synonyms

AC-22808 | AKOS000140600 | 3-Nitro-2-pyridinethiol | C5H4N2O2S | N1149 | 2(1H)-Pyridinethione, 3-nitro- | A26264 | DTXSID70191631 | InChI=1/C5H4N2O2S/c8-7(9)4-2-1-3-6-5(4)10/h1-3H,(H,6,10) | 3-Nitropyridine-2-thiol, 96% | 3-nitropyridine-2-thiol | AMY1094

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

AC-22808 | AKOS000140600 | 3-Nitro-2-pyridinethiol | C5H4N2O2S | N1149 | 2(1H)-Pyridinethione, 3-nitro- | A26264 | DTXSID70191631 | InChI=1/C5H4N2O2S/c8-7(9)4-2-1-3-6-5(4)10/h1-3H,(H,6,10) | 3-Nitropyridine-2-thiol, 96% | 3-nitropyridine-2-thiol | AMY1094

Spezifikationen & Reinheit

≥96%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥96%

Namen und Kennungen

Pubchem Sid

504760216

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760216

Kanonisches Lächeln

C1=CNC(=S)C(=C1)[N+](=O)[O-]

IUPAC Name

3-nitro-1H-pyridine-2-thione

InChIKey

LKNPLDRVWHXGKZ-UHFFFAOYSA-N

INCHI

1S/C5H4N2O2S/c8-7(9)4-2-1-3-6-5(4)10/h1-3H,(H,6,10)

Isomere SMILES

C1=CNC(=S)C(=C1)[N+](=O)[O-]

WGK Deutschland

3

Molekulargewicht

156.16

Reaxy-Rn

1449408

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1449408&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Klasse Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Ebene5 C-nitro compounds
          • Ebene6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Klasse: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: Dihydropyridines Thiolactams Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Dihydropyridine - Hydropyridine - Pyridine - Thiolactam - Heteroaromatic compound - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Air Sensitive
• Schmelzpunkt (°C): 169-175°C
• Molekulargewicht: 156.160 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 155.999 Da
• Monoisotopic Mass: 155.999 Da
• Topological Polar Surface Area: 89.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 239.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 38240-29-8, the molecular formula is C5H4N2O2S, and the molecular weight is 156.16 g/mol. InChIKey LKNPLDRVWHXGKZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.