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

CAS: 1189419-41-7 Cat. No.: N358787 분자식: C₁₅H₁₂D₆N₆O₆S 분자량: 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

개요

Post-emergence sulfonylurea herbicide.

사양

동의어

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

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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이름과 식별자

정식 스마일

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

이성체 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]

분자량

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
    • 분류 Organonitrogen compounds
      • Subclass Sulfonylureas

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in Water
• 녹는점(°C): ≥ 260° C (lit.)
• 분자량: 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