Sulfometuron-methyl - analytical standard , CAS No.74222-97-2

CAS: 74222-97-2 Cat. No.: S114649 Peso molecular: 364.4 Número EC: 277-780-6 PubChem CID: 52997

GRADE & PURITY Analytical standard

Synonyms

sulfometuron-methyl|SULFOMETURON METHYL|74222-97-2|OUST|DPX-T5648|Sulfometuron methyl ester|Caswell No. 561D|Aa 5648|Sulfometuron-methyl [ISO]|DPX 5648|methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate|JLY5D60J1A|CHEBI:9348|DTXSID0034936|M

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

sulfometuron-methyl | SULFOMETURON METHYL | 74222-97-2 | OUST | DPX-T5648 | Sulfometuron methyl ester | Caswell No. 561D | Aa 5648 | Sulfometuron-methyl [ISO] | DPX 5648 | methyl 2-[(4, 6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate | JLY5D60J1A | CHEBI:9348 | DTXSID0034936 | M

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Analytical standard

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)C
• IUPAC Name: methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate
• InChIKey: ZDXMLEQEMNLCQG-UHFFFAOYSA-N
• INCHI: 1S/C15H16N4O5S/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3/h4-8H,1-3H3,(H2,16,17,18,19,21)
• Isómeros SMILES: CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)C
• WGK Alemania: 2
• RTECS: DG9096550
• PubChem CID: 52997
• Número ONU: 3077
• Peso molecular: 364.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Benzenesulfonamides Benzenesulfonyl compounds Benzoyl derivatives Sulfonylureas Pyrimidines and pyrimidine derivatives Aminosulfonyl compounds Organosulfonic acids and derivatives Heteroaromatic compounds Methyl esters Propargyl-type 1,3-dipolar organic compounds Carboximidic acids and derivatives Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organooxygen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Benzoate ester - Benzenesulfonyl group - Benzoyl - Sulfonylurea - Pyrimidine - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Methyl ester - Aminosulfonyl compound - Carboxylic acid ester - Carboximidic acid derivative - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• External Descriptors: pyrimidines - benzoate ester - 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

Objetivos asociados (no humanos)

Mycobacterium tuberculosis (203094 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 203-205°C
• Peso molecular: 364.400 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 364.084 Da
• Monoisotopic Mass: 364.084 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 581.000
• 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

Referencias

1. Jiping Ma, Shuang Li, Gege Wu, Shasha Wang, Xiaotong Guo, Liyan Wang, Xiaoyan Wang, Jinhua Li, Lingxin Chen.  (2019)  Preparation of mixed-matrix membranes from metal organic framework (MIL-53) and poly (vinylidene fluoride) for use in determination of sulfonylurea herbicides in aqueous environments by high performance liquid chromatography.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:31265961] [10.1016/j.jcis.2019.06.082]

2. 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]

3. 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]