Sethoxydim - analytical standard, used for The analytical standard can be used to: Study the inhibition effect of acetyl-CoA carboxylase in barley chloroplasts using cycloxydim, sethoxydim, and clethodim herbicides； Study the photochemical changes and oxi

CAS: 74051-80-2 Cat. No.: S114872 Summenformel: C₁₇H₂₉NO₃S Molekulargewicht: 327.48 Beilstein Registry Number: 8222943 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

analytical standard

Anmeldung

The analytical standard can be used to: Study the inhibition effect of acetyl-CoA carboxylase in barley chloroplasts using cycloxydim, sethoxydim, and clethodim herbicides； Study the photochemical changes and oxidative damage in four foxtail millet variet

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Analytischer Standard

Aktionsart

INHIBITOR

Namen und Kennungen

Pubchem Sid

528774458

Kanonisches Lächeln

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+

Isomere SMILES

CCC/C(=N\OCC)/C1=C(CC(CC1=O)CC(C)SCC)O

WGK Deutschland

2

RTECS

GW7191000

PubChem CID

135491830

Molekulargewicht

327.48

Beilstein

8222943

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Cyclic ketones
            • Ebene7 Cyclohexenones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Siedepunkt (°C): 90°C
• Molekulargewicht: 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