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

CAS: 2637-34-5 Cat. No.: M101871 Summenformel: C₅H₅NS Molekulargewicht: 111.16 Beilstein Registry Number: 105787 EG-Nummer: 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

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Übersicht

Employed as a ligand in metal complexes

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥98%

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

≥98%

Namen und Kennungen

Pubchem Sid

504760797

Pubchem Sid Url

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

Kanonisches Lächeln

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)

Isomere SMILES

C1=CC(=S)NC=C1

WGK Deutschland

3

RTECS

UT9600000

Alternative CAS-Nummer

73018-10-7

Molekulargewicht

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
    • 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: 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
• 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: 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

Zugehörige Ziele (nicht menschlich)

J774.A1 (2436 Activities)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Slightly soluble in chloroform, methanol and dimethyl sulfoxide
• Empfindlichkeit: Air Sensitive
• Schmelzpunkt (°C): 124-130°C
• Molekulargewicht: 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