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

CAS: 3337-71-1 Cat. No.: A114627 分子式: C₈H₁₀N₂O₄S 分子量: 230.24 Beilstein Registry Number: 2697523 EC番号: 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

同義語

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

仕様と純度

analytical standard

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

分析用標準物質

名前と識別子

• パブケム・シド: 528776714
• カノニカル・スマイル: 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)
• 異性体SMILES: COC(=O)NS(=O)(=O)C1=CC=C(C=C1)N
• WGKドイツ: 3
• RTECS: FD1190000
• 分子量: 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
    • 分類 Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 143-144°C
• 分子量: 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