Sulfisomidin - ≥98% , CAS No.515-64-0

CAS: 515-64-0 Cat. No.: S161370 Summenformel: C₁₂H₁₄N₄O₂S Molekulargewicht: 278.33 EG-Nummer: 208-204-3 PubChem CID: 5343

QUALITÄT & REINHEIT ≥98%

Synonyms

NCGC00186655-01 | SULFISOMIDINE [MART.] | 6-Sulfanilamido-2,4-dimethylpyrimidine | Aristogyn | D01526 | Sulfaisomidine | DTXSID1046390 | Sulfaisodimerazine | Sulphasomidine | EINECS 208-204-3 | SMR001346487 | A12593 | CHEBI:32166 | N(sup 1)-(2,6-Dimethyl-

Storage

Lagerung bei -20°C

Shipped In

Eistruhe + Eispads

Übersicht

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Spezifikationen

Synonyme

NCGC00186655-01 | SULFISOMIDINE [MART.] | 6-Sulfanilamido-2,4-dimethylpyrimidine | Aristogyn | D01526 | Sulfaisomidine | DTXSID1046390 | Sulfaisodimerazine | Sulphasomidine | EINECS 208-204-3 | SMR001346487 | A12593 | CHEBI:32166 | N(sup 1)-(2,6-Dimethyl-

Spezifikationen & Reinheit

≥98%

Storage

Lagerung bei -20°C

Verschickt in

Eistruhe + Eispads

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504750875

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750875

Kanonisches Lächeln

CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)N

IUPAC Name

4-amino-N-(2,6-dimethylpyrimidin-4-yl)benzenesulfonamide

InChIKey

YZMCKZRAOLZXAZ-UHFFFAOYSA-N

INCHI

1S/C12H14N4O2S/c1-8-7-12(15-9(2)14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)

Isomere SMILES

CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)N

PubChem CID

5343

Molekulargewicht

278.33

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminobenzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Aniline and substituted anilines Pyrimidines and pyrimidine derivatives Organosulfonamides Imidolactams Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Benzenesulfonyl group - Aniline or substituted anilines - Pyrimidine - Organosulfonic acid amide - Imidolactam - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Primary amine - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.
• External Descriptors: sulfonamide - pyrimidines - sulfonamide antibiotic

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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO:50 mg/mL(179.6 mM)
• Molekulargewicht: 278.330 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 278.084 Da
• Monoisotopic Mass: 278.084 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 387.000
• 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

Häufig gestellte Fragen

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 ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 515-64-0, the molecular formula is C12H14N4O2S, and the molecular weight is 278.33 g/mol. InChIKey YZMCKZRAOLZXAZ-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.