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

CAS: 40771-41-3 Cat. No.: C170206 Fórmula: C₅H₄ClNS Peso molecular: 145.61 Número EC: 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

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 528761588
• Sonrisas canónicas: 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)
• Isómeros SMILES: C1=CC(=S)NC=C1Cl
• WGK Alemania: 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
    • 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: 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
• 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

• Punto de fusión (°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