2-Mercaptopiridina - ≥98% , CAS No.2637-34-5

CAS: 2637-34-5 Cat. No.: M101871 Fórmula: C₅H₅NS Peso molecular: 111.16 Beilstein Registry Number: 105787 Número CE: 220-131-9

GRADE & PURITY ≥98%

Synonyms

2-Pyridinethiol | 2-pyridylthiol | mercaptopyridine | 2-Pyridyl mercaptan | Pyridin-2(1H)-thione | F9995-0226 | PD007080 | PYS | 2-Mercaptopyridine, ReagentPlus(R), 99% | EINECS 220-131-9 | Pridine-2-thiol | Z203045372 | MERCAPTOPYRIDINE, 2- | E81838 | Py

Storage

Armazenar a 2-8°C, carregado com árgon

Shipped In

Gelo húmido

Visão geral

Utilizado como ligando em complexos metálicos

Specifications

Sinónimos

2-Pyridinethiol | 2-pyridylthiol | mercaptopyridine | 2-Pyridyl mercaptan | Pyridin-2(1H)-thione | F9995-0226 | PD007080 | PYS | 2-Mercaptopyridine, ReagentPlus(R), 99% | EINECS 220-131-9 | Pridine-2-thiol | Z203045372 | MERCAPTOPYRIDINE, 2- | E81838 | Py

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Armazenar a 2-8°C, carregado com árgon

Enviado em

Gelo húmido

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504760797

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760797

Sorrisos canónicos

C1=CC(=S)NC=C1

IUPAC Name

1H-pyridine-2-thione

InChIKey

WHMDPDGBKYUEMW-UHFFFAOYSA-N

INCHI

1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)

SMILES isoméricas

C1=CC(=S)NC=C1

WGK Alemanha

3

RTECS

UT9600000

CAS alternativo

73018-10-7

Peso molecular

111.16

Beilstein

105787

Reaxy-Rn

105758

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105758&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: Thiolactams Heteroaromatic compounds Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dihydropyridine - Heteroaromatic compound - Thiolactam - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen 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: aryl thiol - pyridines

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

Alvos associados (não humanos)

J774.A1 (2436 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Slightly soluble in chloroform, methanol and dimethyl sulfoxide
• Sensibilidade: Air Sensitive
• Ponto de fusão (°C): 124-130°C
• Peso molecular: 111.170 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 111.014 Da
• Monoisotopic Mass: 111.014 Da
• Topological Polar Surface Area: 44.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 135.000
• 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