Asulam - analytical standard , CAS No.3337-71-1

CAS: 3337-71-1 Cat. No.: A114627 Summenformel: C₈H₁₀N₂O₄S Molekulargewicht: 230.24 Beilstein Registry Number: 2697523 EG-Nummer: 222-077-1

GRADE & PURITY Analytical standard

Synonyms

ASULAM|3337-71-1|Asulox|Asilan|Jonnix|Asulox F|Plakin|Asulox 40|Methyl sulphanilylcarbamate|Methyl sulfanilylcarbamate|M and B 9057|MB 9057|Methyl sulfanilyl carbamate|Asulame|Asulame [ISO-French]|Carbamic acid, [(4-aminophenyl)sulfonyl]-, methyl ester|Ca

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

ASULAM | 3337-71-1 | Asulox | Asilan | Jonnix | Asulox F | Plakin | Asulox 40 | Methyl sulphanilylcarbamate | Methyl sulfanilylcarbamate | M and B 9057 | MB 9057 | Methyl sulfanilyl carbamate | Asulame | Asulame [ISO-French] | Carbamic acid, [(4-aminophenyl)sulfonyl]-, methyl ester | Ca

Spezifikationen & Reinheit

analytical standard

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Analytischer Standard

Namen und Kennungen

• Pubchem Sid: 528776714
• Kanonisches Lächeln: COC(=O)NS(=O)(=O)C1=CC=C(C=C1)N
• IUPAC Name: methyl N-(4-aminophenyl)sulfonylcarbamate
• InChIKey: VGPYEHKOIGNJKV-UHFFFAOYSA-N
• INCHI: 1S/C8H10N2O4S/c1-14-8(11)10-15(12,13)7-4-2-6(9)3-5-7/h2-5H,9H2,1H3,(H,10,11)
• Isomere SMILES: COC(=O)NS(=O)(=O)C1=CC=C(C=C1)N
• WGK Deutschland: 3
• RTECS: FD1190000
• Molekulargewicht: 230.24
• Beilstein: 2697523
• Reaxy-Rn: 2697523
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2697523&ln=

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 Organosulfonic acids and derivatives Aminosulfonyl compounds Organic carbonic acids and derivatives Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Benzenesulfonyl group - Aniline or substituted anilines - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Carbonic acid derivative - Carbonyl group - Organic nitrogen compound - Amine - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aromatic homomonocyclic 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: Amide herbicides

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 143-144°C
• Molekulargewicht: 230.240 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 230.036 Da
• Monoisotopic Mass: 230.036 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 314.000
• 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