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Methiocarb Sulfoxide

CAT: 0572-TRC-M260350-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M260350-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2635-10-1
Synonyms
Carbamic acid, methyl-, 4-(methylsulfinyl)-3,5-xylyl ester (7CI,8CI); Phenol, 3,5-dimethyl-4-(methylsulfinyl)-, methylcarbamate (9CI); 3,5-Xylenol, 4-(methylsulfinyl)-, methylcarbamate (8CI); 4-(Methylsulfinyl)-3,5-xylyl methylcarbamate; BAY 41791; Bay 37344 sulfoxide; Mesurol sulfoxide; Methiocarb sulfoxide; Methiocarb-sulfoxide
Hazard Statement
Fatal if swallowed; UN number: UN2757; Packing Group: II
Smiles
CNC(=O)Oc1cc(C)c(c(C)c1)S(=O)C
Molecular Formula
C11 H15 N O3 S
Molecular Weight
241.31
InChI
InChI=1S/C11H15NO3S/c1-7-5-9(15-11(13)12-3)6-8(2)10(7)16(4)14/h5-6H,1-4H3,(H,12,13)
Additionnal Information
IUPAC name: (3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Methiocarb sulfoxide

Methiocarb-sulfoxide is a carbamate ester obtained by the formal condensation of the phenolic group of 3,5-dimethyl-4-(methylsulfinyl)phenol with the carboxy group of methylcarbamic acid. It is a metabolite of the pesticide methiocarb. It has a role as a marine xenobiotic metabolite. It is a sulfoxide and a carbamate ester.

CAS Number2635-10-1
PubChem CID17521
IUPAC Name(3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate
Molecular FormulaC11H15NO3S
Molecular Weight241.31
XLogP1.5
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity270
SMILES
CC1=CC(=CC(=C1S(=O)C)C)OC(=O)NC
InChI
InChI=1S/C11H15NO3S/c1-7-5-9(15-11(13)12-3)6-8(2)10(7)16(4)14/h5-6H,1-4H3,(H,12,13)
InChIKey
FNCMBMZOZQAWJA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methiocarb sulfoxide
CAS: 2635-10-1
CID: 17521
Formula: C11H15NO3S
MW: 241.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight241.31
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass241.07726451
Monoisotopic Mass241.07726451
Topological Polar Surface Area74.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity270
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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