Sulfosulfuron - ≥97% , CAS No.141776-32-1

CAS: 141776-32-1 Cat. No.: S339573 分子式: C₁₆H₁₈N₆O₇S₂ 分子量: 470.48 EC番号: 604-251-2 PubChem CID: 86426

GRADE & PURITY ≥97%

Synonyms

Sulfosulfuron, PESTANAL(R), analytical standard | Benzoic acid, 3-(trifluoromethyl)-, methyl ester | SUNDANCE | Sulfosulfuron | AKOS015895296 | Sulfosulfuron 100 microg/mL in Acetonitrile | Y0XC20DL6D | A23916 | 1-(4,6-Dimethoxypyrimidin-2-yl)-3-(2-ethyls

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

Sulfosulfuron, PESTANAL(R), analytical standard | Benzoic acid, 3-(trifluoromethyl)-, methyl ester | SUNDANCE | Sulfosulfuron | AKOS015895296 | Sulfosulfuron 100 microg/mL in Acetonitrile | Y0XC20DL6D | A23916 | 1-(4,6-Dimethoxypyrimidin-2-yl)-3-(2-ethyls

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

• カノニカル・スマイル: CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC
• IUPAC Name: 1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylimidazo[1,2-a]pyridin-3-yl)sulfonylurea
• InChIKey: RBSXHDIPCIWOMG-UHFFFAOYSA-N
• INCHI: 1S/C16H18N6O7S2/c1-4-30(24,25)13-14(22-8-6-5-7-10(22)17-13)31(26,27)21-16(23)20-15-18-11(28-2)9-12(19-15)29-3/h5-9H,4H2,1-3H3,(H2,18,19,20,21,23)
• 異性体SMILES: CCS(=O)(=O)C1=C(N2C=CC=CC2=N1)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC
• PubChem CID: 86426
• UN番号: 3077
• 包装グループ: III
• 分子量: 470.48

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: Imidazo[1,2-a]pyridines Imidazopyridines Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Pyridines and derivatives N-substituted imidazoles Sulfones Aminosulfonyl compounds Heteroaromatic compounds Organosulfonic acids and derivatives Organic carbonic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrimidinyl-2-sulfonylurea - Imidazopyridine - Imidazo[1,2-a]pyridine - Alkyl aryl ether - N-substituted imidazole - Pyridine - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Sulfone - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Carbonic acid derivative - Ether - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic 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

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作用メカニズム

化学的性質と物理的性質

• 分子量: 470.500 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 7
• Exact Mass: 470.068 Da
• Monoisotopic Mass: 470.068 Da
• Topological Polar Surface Area: 188.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 831.000
• 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

参考文献

1. Guo Xiaoyang, Liu Jia, Jiang Lingdong, Gong Wanjun, Wu Huixia, He Qianjun.  (2021)  Sulourea-coordinated Pd nanocubes for NIR-responsive photothermal/H2S therapy of cancer.  JOURNAL OF NANOBIOTECHNOLOGY,  19  (1): (1-14).  [PMID:34649589] [10.1186/s12951-021-01042-9]

2. Xuan Lu, Yang Hu, Jiazhuang Guo, Cai-Feng Wang, Su Chen.  (2019)  Fiber-Spinning-Chemistry Method toward In Situ Generation of Highly Stable Halide Perovskite Nanocrystals.  Advanced Science,  6  (22): (1901694).  [PMID:31763152] [10.1002/advs.201901694]

3. Weidong Zhou, Tao Xu, Xiaowei Wang, Erjuan Zhi, Jun Liu, Wei Zhang, Junhui Ji.  (2012)  In situ polymerized nanocomposites of poly(butylene succinate)/Tio2 nanofibers: molecular weight, morphology, and thermal properties.  JOURNAL OF APPLIED POLYMER SCIENCE,  127  (1): (733-739).  [PMID:] [10.1002/app.37724]