2-Mercapto-5-nitropiridina - ≥98% , CAS No.2127-09-5

CAS: 2127-09-5 Cat. No.: M158826 Formula: C₅H₄N₂O₂S Peso molecolare: 156.16 Beilstein Registry Number: 21(3/4)390 Numero EC: 832-445-9

GRADE & PURITY ≥98%

Synonyms

5-nitro-piridina-2-tiolo | 5-nitropiridina-2-tiolo | BHQUBONFIYNJDA-UHFFFAOYSA- | J-013965 | AT20605 | NCIOpen2_000976 | Z111423212 | BBL025669 | BHQUBONFIYNJDA-UHFFFAOYSA-N | M1102 | 2M-307S | 2-Mercapto-5-nitropiridina | 2-mercapto-5-nitropiridina | 5-

Storage

Room temperature

Shipped In

Normale

Specifications

Sinonimi

5-nitro-piridina-2-tiolo | 5-nitropiridina-2-tiolo | BHQUBONFIYNJDA-UHFFFAOYSA- | J-013965 | AT20605 | NCIOpen2_000976 | Z111423212 | BBL025669 | BHQUBONFIYNJDA-UHFFFAOYSA-N | M1102 | 2M-307S | 2-Mercapto-5-nitropiridina | 2-mercapto-5-nitropiridina | 5-

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normale

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: C1=CC(=S)NC=C1[N+](=O)[O-]
• IUPAC Name: 5-nitro-1H-pyridine-2-thione
• InChIKey: BHQUBONFIYNJDA-UHFFFAOYSA-N
• INCHI: 1S/C5H4N2O2S/c8-7(9)4-1-2-5(10)6-3-4/h1-3H,(H,6,10)
• Isomeri SMILES: C1=CC(=S)NC=C1[N+](=O)[O-]
• Peso molecolare: 156.16
• Beilstein: 21(3/4)390
• Reaxy-Rn: 1449423
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1449423&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Classe Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Level5 C-nitro compounds
          • Level6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Classe: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Thiols Organopnictogen compounds Organonitrogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Pyridine - Heteroaromatic compound - Organic oxoazanium - Arylthiol - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organonitrogen compound - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive
• Punto di fusione (°C): 188 °C
• Peso molecolare: 156.160 g/mol
• XLogP3: 0.400
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

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 2127-09-5, the molecular formula is C5H4N2O2S, and the molecular weight is 156.16 g/mol. InChIKey BHQUBONFIYNJDA-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.