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

CAS: 73250-68-7 Cat. No.: M109896 Formule: C₁₆H₁₄N₂O₂S Poids moléculaire: 298.36 Beilstein Registry Number: 1143987 Numéro CE: 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

Synonymes

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

Spécifications et pureté

analytical standard, ≥98.5%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Grade

Étalon d'analyse

Pureté

≥98.5%

Noms et identifiants

• Pubchem Sid: 528775248
• Sourires canoniques: 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
• Isomères SMILES: CN(C1=CC=CC=C1)C(=O)COC2=NC3=CC=CC=C3S2
• WGK Allemagne: 2
• RTECS: AB4542550
• Poids moléculaire: 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
    • Classe Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Cibles associées (humaines)

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

Discover Target: MEN1

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Mécanismes d'action

Propriétés chimiques et physiques

• Point d'éclair (°F): >100 °C
• Point d'éclair (°C): >100°C
• Poids moléculaire: 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

Références

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]