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Malathion Alpha-Monoacid

CAT: 0572-TRC-M111015-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M111015-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1190-29-0
Synonyms
2-[(Dimethoxyphosphinothioyl)thio]butanedioic Acid 4-Ethyl Ester; Malathion alpha-Monocarboxylic Acid; O,O-Dimethyl S-(1-carboxy-2-carbethoxy)ethyl Phosphorodithioate;
Hazard Statement
Harmful if swallowed; UN number: UN3082; Packing Group: III
Purity
>95% (HPLC)
Smiles
CCOC(=O)CC(SP(=S)(OC)OC)C(=O)O
Molecular Formula
C8H15O6PS2
Molecular Weight
302.3
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Malathion alpha-monoacid
CAS Number1190-29-0
PubChem CID580760
IUPAC Name2-dimethoxyphosphinothioylsulfanyl-4-ethoxy-4-oxobutanoic acid
Molecular FormulaC8H15O6PS2
Molecular Weight302.3
XLogP1.7
Topological Polar Surface Area139
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count17
Formal Charge0
Complexity313
SMILES
CCOC(=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)
InChIKey
AJSJFDUIZFXAQY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Malathion alpha-monoacid
CAS: 1190-29-0
CID: 580760
Formula: C8H15O6PS2
MW: 302.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.3
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass302.00476754
Monoisotopic Mass302.00476754
Topological Polar Surface Area139 Ų
Heavy Atom Count17
Formal Charge0
Complexity313
Isotope Atom Count0
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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