2-[(1E)-N-{[(2E)-3-Chloro-2-propen-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxy-2-cyclohexen-1-one | CAS No. 99129-21-2

2-[(1E)-N-{[(2E)-3-Chloro-2-propen-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxy-2-cyclohexen-1-one

Basic Information

CAS Number

99129-21-2

Molecular Formula

C17H26ClNO3S

Molecular Weight

359.92 g/mol

AD

Basic Physical Properties

Cl/C=C/CON=C(C1=C(O)CC(CC1=O)CC(SCC)C)CC

InChI

InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14?

InChIKey

SILSDTWXNBZOGF-JWGBMQLESA-N

LogP

4.844400000000004

Topological Polar Surface Area

58.89 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

457

Safety Information

View Safety Information

GHS Hazard Pictograms

H412

Hazard Statement

H412 Harmful to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Toxicity

LD50 in male, female rats (mg/kg): 1630, 1360 orally; LC50 in trout: 56 mg/l; 8 day feeding in quail: > 6000 ppm (Kincade)

Synonyms & References

English

  • Clethodim
  • CLETHODIME
  • (E)-2-[1-[[(3-Chloro-2-propenyl)oxy]imino]propyl]-5-{2-(ethylthio)propyl}-3-hydroxy-2-cyclohexene-1-one
  • E,E-(+/-)-2[1-[[(3-CHLORO-2-PROPENYL)OXY]IMINO][PROPYL]-5-[2-(ETHYLTHIO)-PROPYL]]-3-HYDROXY-2-CYCLOHEXEN-1-ONE
  • SELECT(R)
  • PRISM(R)
  • 2-(1-(((3-chloro-2-propenyl)oxy)imino)propyl)-5-(2-(ethylthio)propyl)-3-hydroxy-2-cyclohexen-1-one
  • 2-cyclohexen-1-one,2-(1-(((3-chloro-2-propenyl)oxy)imino)propyl)-5-(2-(ethylth
  • Clethodim E.C.
  • (RS)-2-[(E)-1-[(E)-3-chloroallyloxyimino]propyl]-5-[2-(ethylthio)propyl]-3-hydroxycyclohex-2-en-1-one
  • (5RS)-2-{(1EZ)-1-[(2E)-3-chloroallyloxyimino]propyl}-5-[(2RS)-2-(ethylthio)propyl]-3-hydroxycyclohex-2-en-1-one
  • (5Ξ)-2-[(1Ξ)-N-{[(2E)-3-chloroprop-2-en-1-yl]oxy}propanimidoyl]-5-[(2Ξ)-2-(ethylsulfanyl)propyl]-3-hydroxycyclohex-2-en-1-one
  • 2-[1-[[[(2E)-3-chloro-2-propen-1-yl]oxy]imino]propyl]-5-[2-(ethylthio)propyl]-3-hydroxy-2-cyclohexen-1-one
  • Centurion
  • Ogive
  • Seletctone
  • Volunteer
  • 2-[1-[[[(2E)-3-Chloro-2-propen-1-yl]oxy]imino]propyl]-5-[2-(ethylthio)propyl]-3-hydroxy-2-cyclohexen-1-one

MDL Number

MFCD01632327

Customs Code

2914700090

FAQ

What is 2-[(1E)-N-{[(2E)-3-Chloro-2-propen-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxy-2-cyclohexen-1-one (CAS: 99129-21-2)?

2-[(1E)-N-{[(2E)-3-Chloro-2-propen-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxy-2-cyclohexen-1-one (CAS: 99129-21-2) is a complex organic compound characterized by its cyclohexenone ring, chloro-substituted alkene group, and sulfanyl-containing side chain. It exhibits functional groups such as hydroxyl, imidoyl, and ethylsulfanyl, making it relevant in organic synthesis and specialized chemical applications. Its exact molecular formula and physical properties require reference to chemical databases or supplier materials.

What are the main uses of 2-[(1E)-N-{[(2E)-3-Chloro-2-propen-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxy-2-cyclohexen-1-one (CAS: 99129-21-2)?

This compound is primarily used in pharmaceutical research and industrial organic synthesis due to its structural versatility. It may serve as an intermediate in drug development or chemical synthesis processes involving functional group modification. Specific applications depend on its reactivity and can include polymer science, agrochemical formulations, or specialized chemical reactions. Further details on its uses should be verified with technical data sheets or scientific literature.

Is 2-[(1E)-N-{[(2E)-3-Chloro-2-propen-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxy-2-cyclohexen-1-one (CAS: 99129-21-2) safe?

Safety information for this compound is not widely documented. However, due to its chloro and sulfanyl functional groups, it may pose potential toxicity risks. Handling should follow standard chemical safety protocols, including use of personal protective equipment (PPE) and a fume hood. Always consult safety data sheets (SDS) and regulatory guidelines for specific handling and exposure precautions related to CAS: 99129-21-2.

How should 2-[(1E)-N-{[(2E)-3-Chloro-2-propen-1-yl]oxy}propanimidoyl]-5-[2-(ethylsulfanyl)propyl]-3-hydroxy-2-cyclohexen-1-one (CAS: 99129-21-2) be stored?

Store this compound in a cool, dry, and dark environment to maintain stability. Use airtight containers to prevent exposure to moisture and air. It should be kept away from heat sources and protected from light. For optimal preservation, consider storage under an inert atmosphere (e.g., nitrogen) and follow specific guidelines from the manufacturer or supplier for CAS: 99129-21-2.

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