Propane-2-sulfonamide - ≥98% , CAS No.81363-76-0

CAS: 81363-76-0 Cat. No.: P195162 Fórmula: C₃H₉NO₂S Peso molecular: 123.17 Número EC: 816-007-4

GRADE & PURITY ≥98%

Synonyms

DTXSID80393543 | Isopropylsulfonamide | SCHEMBL43258 | 2-sulfamylpropane | isopropyl sulfonamide | Propane-2-sulfonamide | SY040953 | EN300-57289 | propane-2-sulfonic acid amide | J-521568 | Isopropylsulphonamide | A840110 | BS-12733 | SJMCLWCCNYAWRQ-UHFF

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

DTXSID80393543 | Isopropylsulfonamide | SCHEMBL43258 | 2-sulfamylpropane | isopropyl sulfonamide | Propane-2-sulfonamide | SY040953 | EN300-57289 | propane-2-sulfonic acid amide | J-521568 | Isopropylsulphonamide | A840110 | BS-12733 | SJMCLWCCNYAWRQ-UHFF

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

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

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CC(C)S(=O)(=O)N
• IUPAC Name: propane-2-sulfonamide
• InChIKey: SJMCLWCCNYAWRQ-UHFFFAOYSA-N
• INCHI: 1S/C3H9NO2S/c1-3(2)7(4,5)6/h3H,1-2H3,(H2,4,5,6)
• Isómeros SMILES: CC(C)S(=O)(=O)N
• Peso molecular: 123.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonamides
• Alternative Parents: Organic sulfonamides Aminosulfonyl compounds Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organosulfonic acid amide - Organic sulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organosulfonamides. These are compounds containing the sulfonamide functional group, an amide of sulfonic acid with the general structure R1S(=O)2N(R2)R3 (R1=alkyl, aryl; R2,R3=H, alkyl, aryl).
• 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 & air sensitive
• Punto de fusión (°C): 64 °C
• Peso molecular: 123.180 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 123.035 Da
• Monoisotopic Mass: 123.035 Da
• Topological Polar Surface Area: 68.500 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 130.000
• 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

Referencias

1. Jiaqi Shuai, Shengqiu Zhao, Yucong Liao, Fanglin Wu, Rui Wang, Letian Wang, Chunhui Shen, Haolin Tang.  (2024)  Rationally designing anti-poisoning polymer electrolyte by electronegativity modulation: Towards efficient ammonia-cracked hydrogen fuel cells.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2024.122528]

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 81363-76-0, the molecular formula is C3H9NO2S, and the molecular weight is 123.17 g/mol. InChIKey SJMCLWCCNYAWRQ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.