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58769-20-3

58769-20-3 structural image
Product Name: KADETHRIN
Formula: C23H24O4S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Yellowish-brown viscous liquid; mp = 31 deg C; [HSDB]
Color/Form Yellow-brown viscous oil
Melting Point 31 °C
Solubility Practically insol in water. Sol in dichloromethane, ethanol (10 g/kg), benzene, toluene, xylene, acetone, piperonyl butoxide. Slightly sol in kerosene.
Vapor Pressure 0.00000004 [mmHg]
Stability/Shelf Life Hydrolyzed by aqueous alkalis. Rapidly decomposed by light (more slowly in mineral oils). Unstable to heat.
Optical Rotation Specific rotation: 16-19 deg
Chemical Classes Pesticides -> Pyrethrins/Pyrethroids

COMPUTED DESCRIPTORS

Molecular Weight 396.5 g/mol
XLogP3 5.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 396.13953042 g/mol
Monoisotopic Mass 396.13953042 g/mol
Topological Polar Surface Area 81.8 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 635
Isotope Atom Count 0
Defined Atom Stereocenter Count 2
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes