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Isodimethoate

CAT: 0013-GTR19264078-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264078-02Size:50 mg
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Description
Isodimethoate is a thermal decomposition product of Dimethoate. It acts as a direct cholinesterase inhibitor and inhibits acetylcholinesterase (AChE) in human erythrocytes.
CAS Number
3344-11-4
Field of Research
Neuroscience
Smiles
O=C (NC) CSP (=O) (OC) SC
Molecular Formula
C5H12NO3PS2
Molecular Weight
229.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Phosphorodithioic acid, O,S-dimethyl ester, S-ester with 2-mercapto-N-methylacetamide
CAS Number3344-11-4
PubChem CID76866
IUPAC Name2-[methoxy(methylsulfanyl)phosphoryl]sulfanyl-N-methylacetamide
Molecular FormulaC5H12NO3PS2
Molecular Weight229.3
XLogP-0.3
Topological Polar Surface Area106
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count12
Formal Charge0
Complexity199
SMILES
CNC(=O)CSP(=O)(OC)SC
InChI
InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(8,9-2)11-3/h4H2,1-3H3,(H,6,7)
InChIKey
IRZFDJFTOCCEPS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phosphorodithioic acid, O,S-dimethyl ester, S-ester with 2-mercapto-N-methylacetamide
CAS: 3344-11-4
CID: 76866
Formula: C5H12NO3PS2
MW: 229.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight229.3
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass228.99962259
Monoisotopic Mass228.99962259
Topological Polar Surface Area106 Ų
Heavy Atom Count12
Formal Charge0
Complexity199
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

Alternative Products

CatalogName
HY-112013-01Isodimethoate
AR-D01888-01Isodimethoate Impurity 1
TRC-I815090-100MGIsodimethoate (Technical Grade)

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