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

CAS: 73250-68-7 Cat. No.: M109896 분자식: C₁₆H₁₄N₂O₂S 분자량: 298.36 Beilstein Registry Number: 1143987 EC 번호: 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

동의어

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

사양 및 순도

analytical standard, ≥98.5%

보관 조건

Room temperature

배송

Normal

등급

분석 표준물질

순수함

≥98.5%

이름과 식별자

• Pubchem Sid: 528775248
• 정식 스마일: 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
• 이성체 SMILES: CN(C1=CC=CC=C1)C(=O)COC2=NC3=CC=CC=C3S2
• WGK 독일: 2
• RTECS: AB4542550
• 분자량: 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
    • 분류 Benzothiazoles

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

관련 대상(인간)

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

Discover Target: MEN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Glycine max (342 Activities)

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Triticum aestivum (1582 Activities)

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Gossypium hirsutum (233 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Persicaria lapathifolia (57 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Echinochloa oryzicola (1513 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 발화점(°F): >100 °C
• 발화점(°C): >100°C
• 분자량: 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

참고 문헌

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]