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Malathion alpha-Monoacid-d5

CAT: 0572-TRC-M111017-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M111017-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1794980-03-2
Hazard Statement
No Data Available
Smiles
[2H]C([2H])([2H])C([2H])([2H])OC(=O)CC(SP(=S)(OC)OC)C(=O)O
Molecular Formula
C8 D5 H10 O6 P S2
Molecular Weight
307.336
InChI
InChI=1S/C8H15O6PS2/c1-4-14-7(9)5-6(8(10)11)17-15(16,12-2)13-3/h6H,4-5H2,1-3H3,(H,10,11)/i1D3,4D2
Additionnal Information
IUPAC name: 2-dimethoxyphosphinothioylsulfanyl-4-oxo-4-(1,1,2,2,2-pentadeuterioethoxy)butanoic acid
Shipping Conditions
Room Temperature

Chemical Information

2-Dimethoxyphosphinothioylsulfanyl-4-oxo-4-(1,1,2,2,2-pentadeuterioethoxy)butanoic acid
CAS Number1794980-03-2
PubChem CID71749876
IUPAC Name2-dimethoxyphosphinothioylsulfanyl-4-oxo-4-(1,1,2,2,2-pentadeuterioethoxy)butanoic acid
Molecular FormulaC8H15O6PS2
Molecular Weight307.3
XLogP1.7
Topological Polar Surface Area139
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count17
Formal Charge0
Complexity313
SMILES
[2H]C([2H])([2H])C([2H])([2H])OC(=O)CC(C(=O)O)SP(=S)(OC)OC
InChI
InChI=1S/C8H15O6PS2/c1-4-14-7(9)5-6(8(10)11)17-15(16,12-2)13-3/h6H,4-5H2,1-3H3,(H,10,11)/i1D3,4D2
InChIKey
AJSJFDUIZFXAQY-SGEUAGPISA-N
Chemical Structure
2D Structure
2D structure of 2-Dimethoxyphosphinothioylsulfanyl-4-oxo-4-(1,1,2,2,2-pentadeuterioethoxy)butanoic acid
CAS: 1794980-03-2
CID: 71749876
Formula: C8H15O6PS2
MW: 307.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight307.3
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass307.03615127
Monoisotopic Mass307.03615127
Topological Polar Surface Area139 Ų
Heavy Atom Count17
Formal Charge0
Complexity313
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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