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Methiocarb

CAT: 0931-T21464-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T21464-02Size:100 mg
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CAS Number
2032-65-7
Target
Glutathione Peroxidase, Cholinesterase (ChE), CAT
Related Pathways
Neuroscience, Metabolism, Oxidation-Reduction
Purity
0.9849
Bioactivity
Methiocarb is a carbamate insecticide acting as a reversible AChE or ChE inhibitor, inducing oxidative stress in rats.
Smiles
O=C(OC=1C=C(C(SC)=C(C1)C)C)NC
Molecular Formula
C11H15NO2S
Molecular Weight
225.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methiocarb

Methiocarb is a carbamate ester obtained by the formal condensation of the phenolic group of 3,5-dimethyl-4-(methylsulfanyl)phenol with the carboxy group of methylcarbamic acid. It has a role as an acaricide, an insecticide, an agrochemical, an avicide, a molluscicide, a xenobiotic, an EC 3.1.1.7 (acetylcholinesterase) inhibitor and an environmental contaminant. It is a carbamate ester, an aryl sulfide and a methyl sulfide. It is functionally related to a 3,5-dimethyl-4-(methylsulfanyl)phenol and a methylcarbamic acid.

CAS Number2032-65-7
PubChem CID16248
IUPAC Name(3,5-dimethyl-4-methylsulfanylphenyl) N-methylcarbamate
Molecular FormulaC11H15NO2S
Molecular Weight225.31
XLogP2.9
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity211
SMILES
CC1=CC(=CC(=C1SC)C)OC(=O)NC
InChI
InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)
InChIKey
YFBPRJGDJKVWAH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methiocarb
CAS: 2032-65-7
CID: 16248
Formula: C11H15NO2S
MW: 225.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight225.31
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass225.08234989
Monoisotopic Mass225.08234989
Topological Polar Surface Area63.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity211
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

Alternative Products

CatalogName
525615Methiocarb
TRC-M225242-1MGMethiocarb-d3
TRC-M260350-250MGMethiocarb Sulfoxide
RM-M303000-01Methiocarb Sulfone
TRC-M260342-25MGMethiocarb-d3 Sulfone
TRC-M260352-1MGMethiocarb-d3 Sulfoxide
AR-M01551-01Methiocarb sulfoxide-d3

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