Sethoxydim - analytical standard , CAS No.74051-80-2

CAS: 74051-80-2 Cat. No.: S114872 Peso molecular: 327.48 Beilstein Registry Number: 8222943 Número EC: 277-682-3 PubChem CID: 135491830

GRADE & PURITY Analytical standard

Synonyms

Tritex-extra | 2-(1-(Ethoxyimino)butyl)-5-(2-(ethylthio)propyl)-3-hydroxycyclohex-2-enone | HSDB 7342 | W-104434 | AKOS040744786 | NCGC00091185-01 | ZCA05180 | 1,3-Diphenylurea, Vetec(TM) reagent grade, 98% | 1262311-71-6 | Sethoxydim, PESTANAL(R), analyt

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Tritex-extra | 2-(1-(Ethoxyimino)butyl)-5-(2-(ethylthio)propyl)-3-hydroxycyclohex-2-enone | HSDB 7342 | W-104434 | AKOS040744786 | NCGC00091185-01 | ZCA05180 | 1, 3-Diphenylurea, Vetec(TM) reagent grade, 98% | 1262311-71-6 | Sethoxydim, PESTANAL(R), analyt

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Analytical standard

Nombres e identificadores

• Sonrisas canónicas: CCCC(=NOCC)C1=C(CC(CC1=O)CC(C)SCC)O
• IUPAC Name: 2-[(E)-N-ethoxy-C-propylcarbonimidoyl]-5-(2-ethylsulfanylpropyl)-3-hydroxycyclohex-2-en-1-one
• InChIKey: CSPPKDPQLUUTND-NBVRZTHBSA-N
• INCHI: 1S/C17H29NO3S/c1-5-8-14(18-21-6-2)17-15(19)10-13(11-16(17)20)9-12(4)22-7-3/h12-13,19H,5-11H2,1-4H3/b18-14+
• Isómeros SMILES: CCC/C(=N\OCC)/C1=C(CC(CC1=O)CC(C)SCC)O
• WGK Alemania: 2
• RTECS: GW7191000
• PubChem CID: 135491830
• Peso molecular: 327.48
• Beilstein: 8222943

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones
            • Level7 Cyclohexenones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Cyclic ketones
• Direct Parent: Cyclohexenones
• Alternative Parents: Vinylogous acids Oxime ethers Sulfenyl compounds Enols Dialkylthioethers Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexenone - Vinylogous acid - Oxime ether - Dialkylthioether - Sulfenyl compound - Thioether - Enol - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aliphatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.
• External Descriptors: Cyclohexene oxime 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

Propiedades químicas y físicas

• Punto de ebullición (°C): 90°C
• Peso molecular: 327.500 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 327.187 Da
• Monoisotopic Mass: 327.187 Da
• Topological Polar Surface Area: 84.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 432.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Referencias

1. Fengping Liu, Aiming Zhong, Qin Xu, Hongen Cao, Xiaoya Hu.  (2016)  Inhibition of 2,4-Dichlorophenoxyacetic Acid to Catalase Immobilized on Hierarchical Porous Calcium Phosphate: Kinetic Aspect and Electrochemical Biosensor Construction.  Journal of Physical Chemistry C,      [PMID:] [10.1021/acs.jpcc.5b12559]

2. Tian-Qiong Shi, Yi-hang Shen, Ya-Wen Li, Zi-Yi Huang, Zhi-Kui Nie, Chao Ye, Yue-Tong Wang, Qi Guo.  (2024)  Improving the productivity of gibberellic acid by combining small-molecule compounds-based targeting technology and transcriptomics analysis in Fusarium fujikuroi.  BIORESOURCE TECHNOLOGY,      [PMID:38185446] [10.1016/j.biortech.2024.130299]