Thionicotinamide - ≥98%(HPLC) , CAS No.4621-66-3

CAS: 4621-66-3 Cat. No.: T161553 Fórmula: C₆H₆N₂S Peso molecular: 138.19 Número CE: 225-036-6 PubChem CID: 737155

GRAU & PUREZA ≥98%(HPLC)

Synonyms

AS-11018 | BDBM60920 | 3-Thiocarbamoylpyridine | Q27264385 | SCHEMBL259899 | STK400207 | Pyridine-3-carbothioic acid amide | 3-Thioamidopyridine | DTXSID9063536 | 3-Pyridylthiocarboxamide | BRN 0109593 | FT-0635375 | Thio-3-pyridinecarboxamide | 3-Pyridin

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Especificações

Sinónimos

AS-11018 | BDBM60920 | 3-Thiocarbamoylpyridine | Q27264385 | SCHEMBL259899 | STK400207 | Pyridine-3-carbothioic acid amide | 3-Thioamidopyridine | DTXSID9063536 | 3-Pyridylthiocarboxamide | BRN 0109593 | FT-0635375 | Thio-3-pyridinecarboxamide | 3-Pyridin

Especificações e pureza

≥98%(HPLC)

Condições de armazenamento de armazenamento

Protected from light,Room temperature,Argon charged

Enviado em

Normal

Pureza

≥98%(HPLC)

Nomes e identificadores

Pubchem Sid

488191387

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191387

Sorrisos canónicos

C1=CC(=CN=C1)C(=S)N

IUPAC Name

pyridine-3-carbothioamide

InChIKey

XQWBMZWDJAZPPX-UHFFFAOYSA-N

INCHI

1S/C6H6N2S/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)

SMILES isoméricas

C1=CC(=CN=C1)C(=S)N

RTECS

QS4488000

PubChem CID

737155

Peso molecular

138.19

Reaxy-Rn

109593

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Thioamides Heteroaromatic compounds Thiocarboxylic acid amides Azacyclic compounds Thiocarbonyl compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Thioamide - Azacycle - Thiocarboxylic acid amide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Thiocarbonyl group - Organosulfur compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

Alvos associados (humanos)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

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

CCRF-CEM (65223 Activities)

Explore this target

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

MOLT-4 (49676 Activities)

Explore this target

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

RL (305 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

• Ponto de inflamação (°F): 320°F
• Ponto de inflamação (°C): 160℃
• Ponto de fusão (°C): 190℃
• Peso molecular: 138.190 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 138.025 Da
• Monoisotopic Mass: 138.025 Da
• Topological Polar Surface Area: 71.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 114.000
• 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