Tribenuron-methyl - analytical standard , CAS No.101200-48-0

CAS: 101200-48-0 Cat. No.: T114467 Summenformel: C₁₅H₁₇N₅O₆S Molekulargewicht: 395.39 EG-Nummer: 600-172-2 PubChem CID: 153909

GRADE & PURITY Analytical standard

Synonyms

TRIBENURON-METHYL|Tribenuron methyl|101200-48-0|Sulfmethmeton-methyl|Express|Tribenuron methyl ester|Cameo (pesticide)|Express (pesticide)|Tribenuron-methyl [ISO]|DPX-L 5300|Benzoic acid, 2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)methylamino]carbonyl]a

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

TRIBENURON-METHYL | Tribenuron methyl | 101200-48-0 | Sulfmethmeton-methyl | Express | Tribenuron methyl ester | Cameo (pesticide) | Express (pesticide) | Tribenuron-methyl [ISO] | DPX-L 5300 | Benzoic acid, 2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)methylamino]carbonyl]a

Spezifikationen & Reinheit

analytical standard

Storage

Room temperature

Verschickt in

Normal

Note

Analytischer Standard

Namen und Kennungen

• Pubchem Sid: 528775368
• Kanonisches Lächeln: CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC
• IUPAC Name: methyl 2-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-methylcarbamoyl]sulfamoyl]benzoate
• InChIKey: VLCQZHSMCYCDJL-UHFFFAOYSA-N
• INCHI: 1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)
• Isomere SMILES: CC1=NC(=NC(=N1)OC)N(C)C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC
• WGK Deutschland: 1
• PubChem CID: 153909
• Molekulargewicht: 395.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass Sulfonylureas

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Sulfonylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: S-triazinyl-2-sulfonylureas
• Alternative Parents: Benzenesulfonamides Benzoic acid esters Benzenesulfonyl compounds 2-methoxy-1,3,5-triazines Benzoyl derivatives Alkyl aryl ethers N-aliphatic s-triazines Heteroaromatic compounds Organosulfonic acids and derivatives Aminosulfonyl compounds Methyl esters Organic carbonic acids and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: S-triazinyl-2-sulfonylurea - Benzenesulfonamide - Benzoate ester - Benzenesulfonyl group - Benzoic acid or derivatives - 2-methoxy-1,3,5-triazine - Alkoxy-s-triazine - Benzoyl - Alkyl aryl ether - Amino-1,3,5-triazine - N-aliphatic s-triazine - Monocyclic benzene moiety - 1,3,5-triazine - Benzenoid - Triazine - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Methyl ester - Aminosulfonyl compound - Carbonic acid derivative - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organooxygen compound - Carbonyl group - Organosulfur compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as s-triazinyl-2-sulfonylureas. These are aromatic heterocyclic compounds containing a s-triazine ring which is substituted with a urea at the ring 2-position.
• External Descriptors: methyl ester - methoxy-1,3,5-triazine - N-sulfonylurea

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

Zugehörige Ziele (menschlich)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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Zugehörige Ziele (nicht menschlich)

ALS Acetolactate synthase (354 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Candida albicans (78123 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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ILV2 Acetolactate synthase catalytic subunit, mitochondrial (10 Activities)

Discover Target: ILV2

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Amaranthus tricolor (65 Activities)

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Bifora radians (15 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 141°C
• Molekulargewicht: 395.400 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 395.09 Da
• Monoisotopic Mass: 395.09 Da
• Topological Polar Surface Area: 149.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 639.000
• 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

Referenzen

1. Ting Zhao, Xiaochen Liang, Xinjie Guo, Xingjie Yang, Jialiang Guo, Xia Zhou, Xueqin Huang, Wenqian Zhang, Yiqing Wang, Zhaowei Liu, Zhengjin Jiang, Hongke Zhou, Haibo Zhou.  (2022)  Smartphone-based colorimetric sensor array using gold nanoparticles for rapid distinguishment of multiple pesticides in real samples.  FOOD CHEMISTRY,      [PMID:36444090] [10.1016/j.foodchem.2022.134768]

2. Jianan Liu, Jinjin Cheng, Chunli Zhou, Liya Ma, Xiaolong Chen, Yong Li, Xing Sun, Xiaolong Yan, Renhua Geng, Qun Wan, Xiangyang Yu.  (2022)  Uptake kinetics and subcellular distribution of three classes of typical pesticides in rice plants.  SCIENCE OF THE TOTAL ENVIRONMENT,      [PMID:36374729] [10.1016/j.scitotenv.2022.159826]

3. Fang Xu, Yukuai Zhang, Longfei Su, Zhenxing Guo, Qiang Cheng, Liqiang Xu, Feng Wang, Guoping Sheng.  (2024)  Solar-Light-Mediated Phototransformation of Herbicide Tribenuron-Methyl Initiated by Its Coexisting Nitrate Ion in Sunlit Agricultural Drainages.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:39720920] [10.1021/acs.jafc.4c09764]

4. Yufei Dai, Xianli Song, Jing Zhao, Limin Wang, Xiaoru Cui, Li Lu, Jingyu Zhang, Haoyu Zhang, Dahai Zhang, Keqiang Li.  (2025)  Spatiotemporal distribution and potential ecological risks of current-use pesticides (CUPs) in Laizhou Bay, China.  MARINE ENVIRONMENTAL RESEARCH,      [PMID:40031394] [10.1016/j.marenvres.2025.107042]

5. Xiang Li, Yumeng Dai, Xinyu Guan, Zhiyang Han, Xu Li, Xiujuan Wang, Zhencheng Su, Huiwen Zhang, Mingkai Xu.  (2025)  Taxonomic structure and functional assembly of the broad-spectrum sulfonylurea herbicide-degrading microbial consortium L1 under different herbicide substrates.  Environmental Technology & Innovation,      [PMID:] [10.1016/j.eti.2025.104446]

6. Lu Qianqian, Xu Xinxin, Qu Aihua, Liu Liqiang, Li Yuzhe, Sun Maozhong, Xu Chuanlai, Kuang Hua.  (2024)  A multi-colloidal gold immunochromatography assay for rapid and simultaneous detection of 13 herbicides.  Nano Research,      [PMID:] [10.1007/s12274-024-6858-0]

7. Lu Zeng, Huan Lv, Xiangrui Li, Wenjia Yang, Wencan Luo, Linghong Kong, Qiujin Zhu.  (2025)  Colloidal gold-based lateral flow immunoassay for detecting cyclosulfamuron residues in cereal samples.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2025.106761]

8. Menghan Liu, Ruyu Zhang, Jie Wang, Huiting Zhang, Jingying Tan, Qingzhi Liu, Lei Han, Lihua Lu.  (2025)  Facilely Fabricating Bimetallic Ir/Co Nanozymes with High Oxidize-like Activities for Sensitive Detection of Malathion with Portable Swabs.  ANALYTICAL CHEMISTRY,      [PMID:40525265] [10.1021/acs.analchem.5c01779]