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 Formula: C₁₇H₂₉NO₃S Peso molecolare: 327.48 Beilstein Registry Number: 8222943 Numero 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

Sinonimi

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

Specifiche e purezza

analytical standard

Applicazione

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

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Standard analitico

Tipo di azione

INHIBITOR

Nomi e identificatori

Pubchem Sid

528774458

Sorrisi canonici

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+

Isomeri SMILES

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

WGK Germania

2

RTECS

GW7191000

PubChem CID

135491830

Peso molecolare

327.48

Beilstein

8222943

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): 90°C
• Peso molecolare: 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