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Demeton-O-sulfone

CAT: 0572-TRC-D414120-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D414120-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4891-54-7
Synonyms
Phosphorothioic acid, O,O-diethyl 2-(ethylsulfonyl)ethyl ester (6CI); Ethanol, 2-(ethylsulfonyl)-, O-ester with O,O-diethyl phosphorothioate; Demeton-O sulfone; Thionodemeton sulfone; Phosphorothioic acid, O,O-diethyl O-[2-(ethylsulfonyl)ethyl] ester
Hazard Statement
Toxic if swallowed; UN number: UN3018; Packing Group: I
Smiles
CCOP(=S)(OCC)OCCS(=O)(=O)CC
Molecular Formula
C8 H19 O3 P S2
Molecular Weight
290.3372
InChI
InChI=1S/C8H19O5PS2/c1-4-11-14(15,12-5-2)13-7-8-16(9,10)6-3/h4-8H2,1-3H3
Additionnal Information
IUPAC name: diethoxy-(2-ethylsulfonylethoxy)-sulfanylidene-λ^{5}-phosphane
Shipping Conditions
Room Temperature

Chemical Information

Demeton-o sulfone
CAS Number4891-54-7
PubChem CID21007
IUPAC Namediethoxy-(2-ethylsulfonylethoxy)-sulfanylidene-lambda5-phosphane
Molecular FormulaC8H19O5PS2
Molecular Weight290.3
XLogP1.7
Topological Polar Surface Area102
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count16
Formal Charge0
Complexity312
SMILES
CCOP(=S)(OCC)OCCS(=O)(=O)CC
InChI
InChI=1S/C8H19O5PS2/c1-4-11-14(15,12-5-2)13-7-8-16(9,10)6-3/h4-8H2,1-3H3
InChIKey
GZJFADYLHPWSII-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Demeton-o sulfone
CAS: 4891-54-7
CID: 21007
Formula: C8H19O5PS2
MW: 290.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight290.3
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass290.04115305
Monoisotopic Mass290.04115305
Topological Polar Surface Area102 Ų
Heavy Atom Count16
Formal Charge0
Complexity312
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

Related Products

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Alternative Products

CatalogName
AR-D06761-01Demeton-O-Methyl Sulfone
271434-01Demeton-S sulfone
271437-01Demeton-S-methyl sulfone
446076-01Demeton-S Sulfone-d10
446075-01Demeton-O
446079-01Demeton-S-methyl Sulfone-d6
GTR19274673-01Demeton-O-methyl
CS-T-73469Demeton (O&S)
CS-T-103395Demeton-O-d10
S-1140Demeton (O and S)

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