Rimsulfuron - analytical standard , CAS No.122931-48-0

CAS: 122931-48-0 Cat. No.: R114592 Summenformel: C₁₄H₁₇N₅O₇S₂ Molekulargewicht: 431.44 Beilstein Registry Number: 7501778 EG-Nummer: 602-908-8 PubChem CID: 91779

QUALITÄT & REINHEIT Analytical standard

Synonyms

1-(4,6-dimethoxypyrimidin-2-yl)-3-(3-ethylsulfonylpyridin-2-yl)sulfonylurea|1-(4,6-dimethoxypyrimidin-2-yl)-3-(3-ethylsulfonylpyridin-2-yl)sulfonyl-urea|USAF B-45|DPX-E9636|RIMSULFURON [MI]|1-(4,6-dimethoxypyrimidin-2-yl)-3-(ethylsulfonyl-2-pyridysulfonyl)urea|N-((4,6-Dimethoxypyrimidin-2-yl)carbamoyl)-3-(ethylsulfonyl)pyridine-2-sulfonamide|USAF EK-734A|Rimsulfuron [ANSI]|1-(4,6-Dimethoxypyrimidin-2-yl)-3-(3-ethylsulfonyl-2-pyridylsulfonyl)urea|Rimsulfuron [ANSI:ISO]|DPX E9636|N-(((4,6-Dimethoxy-2-pyrimidinyl)amino)carbonyl)-3-(ethylsulfonyl)-2-pyridinesulfonamide|4-phenyl-3H-1,3-thiazole-2-thione|Rimsulfuron|1-(4,6-dimethoxypyrimidin-2-yl)-3-[(3-ethylsulfonyl-2-pyridyl)sulfonyl]urea|2-Pyridinesulfonamide, N-(((4,6-dimethoxy-2-pyrimidinyl)amino)carbonyl)-3-(ethylsulfonyl)-|2-Pyridinesulfonamide, N-[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]-3-(ethylsulfonyl)-|N-(4,6-dimethoxypyrimidin-2-ylcarbamoyl)-3-(ethylsulfonyl)pyridine-2-sulfonamide|1-(4,6-dimethoxy-2-pyrimidinyl)-3-[(3-ethylsulfonyl-2-pyridinyl)sulfonyl]urea|N-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-3-(ethylsulfonyl)pyridine-2-sulfonamide|Thiopentobarbitone|Tarot|Tina Brown G|RIMSULFURON [ISO]|DPX-E 9636

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

1-(4,6-dimethoxypyrimidin-2-yl)-3-(3-ethylsulfonylpyridin-2-yl)sulfonylurea | 1-(4,6-dimethoxypyrimidin-2-yl)-3-(3-ethylsulfonylpyridin-2-yl)sulfonyl-urea | USAF B-45 | DPX-E9636 | RIMSULFURON [MI] | 1-(4,6-dimethoxypyrimidin-2-yl)-3-(ethylsulfonyl-2-pyridysulfonyl)urea | N-((4,6-Dimethoxypyrimidin-2-yl)carbamoyl)-3-(ethylsulfonyl)pyridin Show more

Spezifikationen & Reinheit

analytical standard

Storage

Room temperature

Verschickt in

Normal

Note

Analytischer Standard

Namen und Kennungen

Pubchem Sid

528773980

Kanonisches Lächeln

CCS(=O)(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC

IUPAC Name

1-(4,6-dimethoxypyrimidin-2-yl)-3-(3-ethylsulfonylpyridin-2-yl)sulfonylurea

InChIKey

MEFOUWRMVYJCQC-UHFFFAOYSA-N

INCHI

1S/C14H17N5O7S2/c1-4-27(21,22)9-6-5-7-15-12(9)28(23,24)19-14(20)18-13-16-10(25-2)8-11(17-13)26-3/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)

Isomere SMILES

CCS(=O)(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC

WGK Deutschland

1

RTECS

UT7900000

PubChem CID

91779

Molekulargewicht

431.44

Beilstein

7501778

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Pyridinesulfonamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyridinesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinesulfonamides
• Alternative Parents: Sulfonylureas Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Sulfones Organosulfonic acids and derivatives Heteroaromatic compounds Aminosulfonyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine-2-sulfonamide - Alkyl aryl ether - Sulfonylurea - Pyrimidine - Sulfone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Ether - Carboximidic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyridinesulfonamides. These are heterocyclic compounds containing a pyridine ring substituted by one or more sulfonamide groups.
• 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

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AR Tclin Androgen Receptor (11781 Activities)

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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RXRA Tclin Retinoid X receptor alpha (3637 Activities)

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AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

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Zea mays (820 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Elymus repens (18 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Flammpunkt (°F): >200 °C
• Flammpunkt (°C): >200°C
• Molekulargewicht: 431.400 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 431.057 Da
• Monoisotopic Mass: 431.057 Da
• Topological Polar Surface Area: 183.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 722.000
• 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