Cyclosulfamuron - analytical standard, ≥96% , CAS No.136849-15-5

CAS: 136849-15-5 Cat. No.: C118346 分子式: C₁₇H₁₉N₅O₆S 分子量: 421.43 Beilstein Registry Number: 9011949 EC番号: 603-980-3

グレード＆純度 Analytical standard, ≥96%

Synonyms

1-(2-(cyclopropylcarbonyl)anilinosulfonyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea|Urea, N-[[[2-(cyclopropylcarbonyl)phenyl]amino]sulfonyl]-N'-(4,6-dimethoxy-2-pyrimidinyl)-|1-{[2-(Cyclopropylcarbonyl)anilino]sulfonyl}-3-(4,6-dimethoxypyrimidin-2-yl)urea|1-[[2-(cyclopropanecarbonyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea|Cyclosulfamuron|Cyclosulfamuron [ISO]|n-[[[2-(cyclopropylcarbonyl)phenyl]amino]sulfonyl]-n'-(4,6-dimethoxy-2-pyrimidinyl)urea|1-{[o-(cyclopropylcarbonyl)phenyl]sulfamoyl}-3-(4,6-dimethoxy-2-pyrimidinyl)urea|Sultan|N-(((2-(CYCLOPROPYLCARBONYL)PHENYL)AMINO)SULFONYL)-N'-(4,6-DIMETHOXY-2-PYRIMIDINYL)UREA

Storage

Room temperature

Shipped In

Normal

仕様

同義語

1-(2-(cyclopropylcarbonyl)anilinosulfonyl)-3-(4,6-dimethoxypyrimidin-2-yl)urea | Urea, N-[[[2-(cyclopropylcarbonyl)phenyl]amino]sulfonyl]-N'-(4,6-dimethoxy-2-pyrimidinyl)- | 1-{[2-(Cyclopropylcarbonyl)anilino]sulfonyl}-3-(4,6-dimethoxypyrimidin-2-yl)urea | 1-[[2-(cyclopropanecarbonyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea | もっと見る

仕様と純度

analytical standard, ≥96%

保管条件

Room temperature

入荷

Normal

等級

分析用標準物質

純度

≥96%

名前と識別子

パブケム・シド

528773232

カノニカル・スマイル

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)NC2=CC=CC=C2C(=O)C3CC3)OC

IUPAC Name

1-[[2-(cyclopropanecarbonyl)phenyl]sulfamoyl]-3-(4,6-dimethoxypyrimidin-2-yl)urea

InChIKey

OFSLKOLYLQSJPB-UHFFFAOYSA-N

INCHI

1S/C17H19N5O6S/c1-27-13-9-14(28-2)19-16(18-13)20-17(24)22-29(25,26)21-12-6-4-3-5-11(12)15(23)10-7-8-10/h3-6,9-10,21H,7-8H2,1-2H3,(H2,18,19,20,22,24)

異性体SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)NC2=CC=CC=C2C(=O)C3CC3)OC

WGKドイツ

3

分子量

421.43

Beilstein

9011949

Reaxy-Rn

9011949

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9011949&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Sulfanilides Benzoyl derivatives Aryl alkyl ketones Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Vinylogous amides Organic sulfuric acids and derivatives Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl-phenylketone - Sulfanilide - Benzoyl - Aryl alkyl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Organic sulfuric acid or derivatives - Heteroaromatic compound - Vinylogous amide - Carboximidic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• External Descriptors: Sulfonylurea 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

化学的性質と物理的性質

• 分子量: 421.400 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 421.106 Da
• Monoisotopic Mass: 421.106 Da
• Topological Polar Surface Area: 157.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 683.000
• 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