o-Toluenesulfonamide - ≥98% , CAS No.88-19-7

CAS: 88-19-7 Cat. No.: T106934 Fórmula: C₇H₉NO₂S Peso molecular: 171.22 Beilstein Registry Number: 11(3)167 Número EC: 201-808-8 PubChem CID: 6924

GRADE & PURITY ≥98%

Synonyms

o-(Or p)-toluenesulphonamide | TOLUENESULFONAMIDE | DTXCID301362 | IEJ | o-Toluenesulfonamide, Pharmaceutical Secondary Standard; Certified Reference Material | 2-Methylbenzenesulfonamide | 2-methylbenzene-sulfonamide | 2-methyl-benzenesulphonamide | SY04

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

o-(Or p)-toluenesulphonamide | TOLUENESULFONAMIDE | DTXCID301362 | IEJ | o-Toluenesulfonamide, Pharmaceutical Secondary Standard; Certified Reference Material | 2-Methylbenzenesulfonamide | 2-methylbenzene-sulfonamide | 2-methyl-benzenesulphonamide | SY04

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488180210

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180210

Sonrisas canónicas

CC1=CC=CC=C1S(=O)(=O)N

IUPAC Name

2-methylbenzenesulfonamide

InChIKey

YCMLQMDWSXFTIF-UHFFFAOYSA-N

INCHI

1S/C7H9NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)

Isómeros SMILES

CC1=CC=CC=C1S(=O)(=O)N

WGK Alemania

2

RTECS

XT4900000

PubChem CID

6924

Peso molecular

171.22

Beilstein

11(3)167

Reaxy-Rn

1102362

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Toluenes Organosulfonamides Aminosulfonyl compounds Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Toluene - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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

Objetivos asociados (humanos)

APP Tclin Amyloid-beta A4 protein (8510 Activities)

Discover Target: APP

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

Objetivos asociados (no humanos)

Carbonic anhydrase (69 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 156-158°C
• Peso molecular: 171.220 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 171.035 Da
• Monoisotopic Mass: 171.035 Da
• Topological Polar Surface Area: 68.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 217.000
• 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

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 room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 88-19-7, the molecular formula is C7H9NO2S, and the molecular weight is 171.22 g/mol. InChIKey YCMLQMDWSXFTIF-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.