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Demeton (O&S)

CAT: 0572-TRC-D231495-1GSize: 1 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-D231495-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
8065-48-3
Hazard Statement
Flammable liquid and vapour; UN number: UN3017; Packing Group: I
Smiles
CCOP(=S)(OCC)OCCSCC.CCOP(=O)(OCC)SCCSCC
Molecular Formula
2 C8 H19 O3 P S2
Molecular Weight
516.68
InChI
InChI=1S/2C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3;1-4-9-12(13,10-5-2)11-7-8-14-6-3/h2*4-8H2,1-3H3
Additionnal Information
IUPAC name: diethoxy-(2-ethylsulfanylethoxy)-sulfanylidene-λ^{5}-phosphane;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Demeton

Demeton is an oily liquid with an amber color and an odor of sulfur. Used as an agricultural insecticide. (EPA, 1998)

CAS Number8065-48-3
PubChem CID24722
IUPAC Namediethoxy-(2-ethylsulfanylethoxy)-sulfanylidene-lambda5-phosphane;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane
Molecular FormulaC16H38O6P2S4
Molecular Weight516.7
Topological Polar Surface Area171
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count18
Heavy Atom Count28
Formal Charge0
Complexity336
SMILES
CCOP(=O)(OCC)SCCSCC.CCOP(=S)(OCC)OCCSCC
InChI
InChI=1S/2C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3;1-4-9-12(13,10-5-2)11-7-8-14-6-3/h2*4-8H2,1-3H3
InChIKey
FAXIJTUDSBIMHY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Demeton
CAS: 8065-48-3
CID: 24722
Formula: C16H38O6P2S4
MW: 516.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight516.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count18
Exact Mass516.10264762
Monoisotopic Mass516.10264762
Topological Polar Surface Area171 Ų
Heavy Atom Count28
Formal Charge0
Complexity336
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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