Nicosulfuron-d6 , CAS No.1189419-41-7

CAS: 1189419-41-7 Cat. No.: N358787 分子式: C₁₅H₁₂D₆N₆O₆S 分子量: 416.44

Synonyms

Nicosulfuron D6 (dimethoxy D6)|2-[[4,6-bis(trideuteriomethoxy)pyrimidin-2-yl]carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide|2-[({4,6-Bis[(~2~H_3_)methyloxy]pyrimidin-2-yl}carbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide|Nicosulfuron-d6

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Post-emergence sulfonylurea herbicide.

仕様

同義語

Nicosulfuron D6 (dimethoxy D6) | 2-[[4,6-bis(trideuteriomethoxy)pyrimidin-2-yl]carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide | 2-[({4,6-Bis[(~2~H_3_)methyloxy]pyrimidin-2-yl}carbamoyl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide | Nicosulfuron-d6

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

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。

名前と識別子

カノニカル・スマイル

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

IUPAC Name

2-[[4,6-bis(trideuteriomethoxy)pyrimidin-2-yl]carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide

InChIKey

RTCOGUMHFFWOJV-LIJFRPJRSA-N

INCHI

1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)/i3D3,4D3

異性体SMILES

[2H]C([2H])([2H])OC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC=N2)C(=O)N(C)C)OC([2H])([2H])[2H]

分子量

416.44

Reaxy-Rn

7233432

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7233432&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Sulfonylureas

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Sulfonylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrimidinyl-2-sulfonylureas
• Alternative Parents: Pyridinesulfonamides Nicotinamides Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Tertiary carboxylic acid amides Organosulfonic acids and derivatives Heteroaromatic compounds Aminosulfonyl compounds Tertiary amines Amino acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrimidinyl-2-sulfonylurea - Pyridine-2-sulfonamide - Nicotinamide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Alkyl aryl ether - Pyridine - Pyrimidine - Heteroaromatic compound - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Carboxamide group - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic oxide - Amine - Carbonyl group - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as pyrimidinyl-2-sulfonylureas. These are aromatic heterocyclic compounds containing a pyrimidine ring which is substituted with a sulfonylurea at the ring 2-position.
• External Descriptors: Not available

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

• 溶解度: Soluble in Water
• 融点（°C）: ≥ 260° C (lit.)
• 分子量: 416.400 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 416.139 Da
• Monoisotopic Mass: 416.139 Da
• Topological Polar Surface Area: 161.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 642.000
• Isotope Atom Count: 6
• 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