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

CAS: 136849-15-5 Cat. No.: C118346 Formule: C₁₇H₁₉N₅O₆S Poids moléculaire: 421.43 Beilstein Registry Number: 9011949 Numéro CE: 603-980-3

QUALITÉ & PURETÉ 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

Spécifications

Synonymes

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 | Afficher plus

Spécifications et pureté

analytical standard, ≥96%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Étalon d'analyse

Pureté

≥96%

Noms et identifiants

Pubchem Sid

528773232

Sourires canoniques

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)

Isomères SMILES

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

WGK Allemagne

3

Poids moléculaire

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
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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