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Demeton-O

CAT: 0572-TRC-D231498-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D231498-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
298-03-3
Hazard Statement
Flammable liquid and vapour; UN number: UN3017; Packing Group: I
Purity
>95% (GC)
Smiles
CCOP(=S)(OCC)OCCSCC
Molecular Formula
C8 H19 O3 P S2
Molecular Weight
258.34
InChI
InChI=1S/C8H19O3PS2/c1-4-9-12(13,10-5-2)11-7-8-14-6-3/h4-8H2,1-3H3
Additionnal Information
IUPAC name: diethoxy-(2-ethylsulfanylethoxy)-sulfanylidene-ÃŽ»^{5}-phosphane
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Demeton-O

Demeton-O is an organic thiophosphate.

CAS Number298-03-3
PubChem CID9273
IUPAC Namediethoxy-(2-ethylsulfanylethoxy)-sulfanylidene-lambda5-phosphane
Molecular FormulaC8H19O3PS2
Molecular Weight258.3
XLogP3
Topological Polar Surface Area85.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count14
Formal Charge0
Complexity168
SMILES
CCOP(=S)(OCC)OCCSCC
InChI
InChI=1S/C8H19O3PS2/c1-4-9-12(13,10-5-2)11-7-8-14-6-3/h4-8H2,1-3H3
InChIKey
DGLIBALSRMUQDD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Demeton-O
CAS: 298-03-3
CID: 9273
Formula: C8H19O3PS2
MW: 258.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.3
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass258.05132381
Monoisotopic Mass258.05132381
Topological Polar Surface Area85.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity168
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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TRC-D231370-50MGDemeton-S-methyl
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TRC-D231370-500MGDemeton-S-methyl
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Alternative Products

CatalogName
sc-234524Demeton-O
CS-T-73469Demeton (O&S)
CS-T-103395Demeton-O-d10
S-1140Demeton (O and S)
GTR19274673-01Demeton-O-methyl
S-4020Demeton O - 1ML
sc-257305Demeton O&S
AR-D06761-01Demeton-O-Methyl Sulfone
REPET328NPesticide Std Demeton O Neat - 10MG
S-1141Demeton S

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