N,N,N',N'-Tetramethyl-S-(1-oxido-2-pyridyl)thiouronium Hexafluorophosphate - ≥98% , CAS No.212333-72-7

CAS: 212333-72-7 Cat. No.: N159641 Peso molecular: 371.28 Número EC: 805-907-2 PubChem CID: 10571248

GRADE & PURITY ≥98%

Synonyms

N,N,N',N'-Tetramethyl-S-(1-oxido-2-pyridyl)thiuronhexafluorophosphate (HOTT) | S-(1-Oxido-2-pyridyl)-N,N,N',N'-tetramethylthiuronium hexafluorophosphate, >=95.0% (NMR) | (Dimethylamino)-N,N-dimethyl[(1-oxo-1lambda~5~-pyridin-2-yl)sulfanyl]methanimin

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

N, N, N', N'-Tetramethyl-S-(1-oxido-2-pyridyl)thiuronhexafluorophosphate (HOTT) | S-(1-Oxido-2-pyridyl)-N, N, N', N'-tetramethylthiuronium hexafluorophosphate, >=95.0% (NMR) | (Dimethylamino)-N, N-dimethyl[(1-oxo-1lambda~5~-pyridin-2-yl)sulfanyl]methanimin

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Argon charged

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504765539
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765539
• Sonrisas canónicas: CN(C)C(=[N+](C)C)SC1=CC=CC=[N+]1[O-].F[P-](F)(F)(F)(F)F
• IUPAC Name: [dimethylamino-(1-oxidopyridin-1-ium-2-yl)sulfanylmethylidene]-dimethylazanium;hexafluorophosphate
• InChIKey: UCOGEMMJHLHOAW-UHFFFAOYSA-N
• INCHI: 1S/C10H16N3OS.F6P/c1-11(2)10(12(3)4)15-9-7-5-6-8-13(9)14;1-7(2,3,4,5)6/h5-8H,1-4H3;/q+1;-1
• Isómeros SMILES: CN(C)C(=[N+](C)C)SC1=CC=CC=[N+]1[O-].F[P-](F)(F)(F)(F)F
• WGK Alemania: 3
• PubChem CID: 10571248
• Peso molecular: 371.28
• Reaxy-Rn: 8175482

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Pyridinium derivatives Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl thioether - Pyridine - Pyridinium - Heteroaromatic compound - Carboximidamide - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
• 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

• Sensibilidad: Moisture Sensitive；Heat Sensitive
• Punto de fusión (°C): 117°C(lit.)
• Peso molecular: 371.290 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 371.066 Da
• Monoisotopic Mass: 371.066 Da
• Topological Polar Surface Area: 57.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 289.000
• 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: 2

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