Mefenacet - analytical standard, ≥98.5% , CAS No.73250-68-7

CAS: 73250-68-7 Cat. No.: M109896 分子式: C₁₆H₁₄N₂O₂S 分子量: 298.36 Beilstein Registry Number: 1143987 EC番号: 277-328-8

GRADE & PURITY Analytical standard, ≥98.5%

Synonyms

2-(Benzothiazol-2-yloxy)-N-methyl-N-phenylacetamide | 2(1,3-benzothiazol-2-yloxy)-n-methyl acetanilide | NCGC00166154-01 | 2-(Benzo[d]thiazol-2-yloxy)-N-methyl-N-phenylacetamide | YCA25068 | Pesticide5_Mefenacet_C16H14N2O2S_Acetamide, 2-(2-benzothiazolylo

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

2-(Benzothiazol-2-yloxy)-N-methyl-N-phenylacetamide | 2(1,3-benzothiazol-2-yloxy)-n-methyl acetanilide | NCGC00166154-01 | 2-(Benzo[d]thiazol-2-yloxy)-N-methyl-N-phenylacetamide | YCA25068 | Pesticide5_Mefenacet_C16H14N2O2S_Acetamide, 2-(2-benzothiazolylo

仕様と純度

analytical standard, ≥98.5%

保管条件

Room temperature

入荷

Normal

等級

分析用標準物質

純度

≥98.5%

名前と識別子

• パブケム・シド: 528775248
• カノニカル・スマイル: CN(C1=CC=CC=C1)C(=O)COC2=NC3=CC=CC=C3S2
• IUPAC Name: 2-(1,3-benzothiazol-2-yloxy)-N-methyl-N-phenylacetamide
• InChIKey: XIGAUIHYSDTJHW-UHFFFAOYSA-N
• INCHI: 1S/C16H14N2O2S/c1-18(12-7-3-2-4-8-12)15(19)11-20-16-17-13-9-5-6-10-14(13)21-16/h2-10H,11H2,1H3
• 異性体SMILES: CN(C1=CC=CC=C1)C(=O)COC2=NC3=CC=CC=C3S2
• WGKドイツ: 2
• RTECS: AB4542550
• 分子量: 298.36
• Beilstein: 1143987
• Reaxy-Rn: 1143987
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1143987&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Anilides Alkyl aryl ethers Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Anilide - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Tertiary carboxylic acid amide - Thiazole - Heteroaromatic compound - Carboxamide group - Ether - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
• External Descriptors: Amide 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

関連ターゲット（人間）

MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

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作用メカニズム

化学的性質と物理的性質

• 引火点（°F）: >100 °C
• 引火点（°C）: >100°C
• 分子量: 298.400 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 298.078 Da
• Monoisotopic Mass: 298.078 Da
• Topological Polar Surface Area: 70.700 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 360.000
• 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. Yukun Chen, Xiaoping Xu, Xiaohui Chen, Yan Chen, Zihao Zhang, Xu Xuhan, Yuling Lin, Zhongxiong Lai.  (2018)  Seed-Specific Gene MOTHER of FT and TFL1 (MFT) Involved in Embryogenesis, Hormones and Stress Responses in Dimocarpus longan Lour..  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,  19  (8): (2403).  [PMID:30110985] [10.3390/ijms19082403]