5-Chloropyridine-2-thiol - ≥95% , CAS No.40771-41-3

CAS: 40771-41-3 Cat. No.: C170206 Fórmula: C₅H₄ClNS Peso molecular: 145.61 Número CE: 684-462-4

GRADE & PURITY ≥95%

Synonyms

5-chloro-1H-pyridine-2-thione | AKOS024462585 | 3-Chloro-6-mercaptopyridine | AMY6289 | FT-0680886 | SB52343 | CB-0702 | 5-chloropyridine-2-thiol | 2(1H)-Pyridinethione, 5-chloro- | 5-Chloropyridine-2(1H)-thione | EN300-31463 | FNXPASNYGUMVGZ-UHFFFAOYSA-N

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

5-chloro-1H-pyridine-2-thione | AKOS024462585 | 3-Chloro-6-mercaptopyridine | AMY6289 | FT-0680886 | SB52343 | CB-0702 | 5-chloropyridine-2-thiol | 2(1H)-Pyridinethione, 5-chloro- | 5-Chloropyridine-2(1H)-thione | EN300-31463 | FNXPASNYGUMVGZ-UHFFFAOYSA-N

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 528761588
• Sorrisos canónicos: C1=CC(=S)NC=C1Cl
• IUPAC Name: 5-chloro-1H-pyridine-2-thione
• InChIKey: FNXPASNYGUMVGZ-UHFFFAOYSA-N
• INCHI: 1S/C5H4ClNS/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)
• SMILES isoméricas: C1=CC(=S)NC=C1Cl
• WGK Alemanha: 3
• Peso molecular: 145.61
• Reaxy-Rn: 4733134
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4733134&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Hydropyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Dihydropyridines
• Alternative Parents: Aryl chlorides Thiolactams Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridine - Aryl halide - Aryl chloride - Heteroaromatic compound - Thiolactam - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Ponto de fusão (°C): 187-192 °C
• Peso molecular: 145.610 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 144.975 Da
• Monoisotopic Mass: 144.975 Da
• Topological Polar Surface Area: 44.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 171.000
• 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