Ethyl 2-Pyridyldithiocarbamate - ≥98%(T) , CAS No.13037-05-3

CAS: 13037-05-3 Cat. No.: E156149 Fórmula: C₈H₁₀N₂S₂ Peso molecular: 198.3

GRADE & PURITY ≥98%(T)

Synonyms

ZCXHKAIAVJUBPJ-UHFFFAOYSA-N | AS-68077 | DTXSID50480797 | Carbamodithioic acid, N-2-pyridinyl-, ethyl ester | ethylpyridin-2-ylcarbamodithioate | T71699 | 2-PYRIDYLDITHIOCARBAMICACIDETHYLESTER | 2-Pyridyldithiocarbamic Acid Ethyl Ester | Ethyl 2-Pyridyldi

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

ZCXHKAIAVJUBPJ-UHFFFAOYSA-N | AS-68077 | DTXSID50480797 | Carbamodithioic acid, N-2-pyridinyl-, ethyl ester | ethylpyridin-2-ylcarbamodithioate | T71699 | 2-PYRIDYLDITHIOCARBAMICACIDETHYLESTER | 2-Pyridyldithiocarbamic Acid Ethyl Ester | Ethyl 2-Pyridyldi

Especificaciones y pureza

≥98%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(T)

Nombres e identificadores

• Sonrisas canónicas: CCSC(=S)NC1=CC=CC=N1
• IUPAC Name: ethyl N-pyridin-2-ylcarbamodithioate
• InChIKey: ZCXHKAIAVJUBPJ-UHFFFAOYSA-N
• INCHI: 1S/C8H10N2S2/c1-2-12-8(11)10-7-5-3-4-6-9-7/h3-6H,2H2,1H3,(H,9,10,11)
• Isómeros SMILES: CCSC(=S)NC1=CC=CC=N1
• Peso molecular: 198.3
• Reaxy-Rn: 131705
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=131705&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Imidolactams Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Imidolactam - Pyridine - Heteroaromatic compound - Azacycle - Sulfenyl compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 198.300 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 198.029 Da
• Monoisotopic Mass: 198.029 Da
• Topological Polar Surface Area: 82.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 150.000
• 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

Preguntas frecuentes

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 13037-05-3, the molecular formula is C8H10N2S2, and the molecular weight is 198.3 g/mol. InChIKey ZCXHKAIAVJUBPJ-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.