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

CAS: 40771-41-3 Cat. No.: C170206 Summenformel: C₅H₄ClNS Molekulargewicht: 145.61 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 528761588
• Kanonisches Lächeln: 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)
• Isomere SMILES: C1=CC(=S)NC=C1Cl
• WGK Deutschland: 3
• Molekulargewicht: 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
    • Klasse Pyridines and derivatives
      • Subclass Hydropyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 187-192 °C
• Molekulargewicht: 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