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Dimethoate-d6

CAT: 0572-TRC-D460507-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D460507-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1219794-81-6
Synonyms
Dimethoate (O,O-dimethyl-D6)
Hazard Statement
Toxic if swallowed; UN number: UN2783; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])OP(=S)(OC([2H])([2H])[2H])SCC(=O)NC
Molecular Formula
C5 2H6 H6 N O3 P S2
Molecular Weight
235.29
InChI
InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)/i2D3,3D3
Additionnal Information
IUPAC name: 2-[bis(trideuteriomethoxy)phosphinothioylsulfanyl]-N-methylacetamide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Dimethoate-d6
CAS Number1219794-81-6
PubChem CID71777128
IUPAC Name2-[bis(trideuteriomethoxy)phosphinothioylsulfanyl]-N-methylacetamide
Molecular FormulaC5H12NO3PS2
Molecular Weight235.3
XLogP0.8
Topological Polar Surface Area105
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count12
Formal Charge0
Complexity191
SMILES
[2H]C([2H])([2H])OP(=S)(OC([2H])([2H])[2H])SCC(=O)NC
InChI
InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)/i2D3,3D3
InChIKey
MCWXGJITAZMZEV-XERRXZQWSA-N
Chemical Structure
2D Structure
2D structure of Dimethoate-d6
CAS: 1219794-81-6
CID: 71777128
Formula: C5H12NO3PS2
MW: 235.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight235.3
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass235.03728307
Monoisotopic Mass235.03728307
Topological Polar Surface Area105 Ų
Heavy Atom Count12
Formal Charge0
Complexity191
Isotope Atom Count6
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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