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Iodosulfuron Methyl Ester Sodium (~90%)

CAT: 0572-TRC-I772010-50GSize: 50 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-I772010-50GSize:50 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
144550-36-7
Hazard Statement
Harmful in contact with skin; UN number: UN3077; Packing Group: III
Smiles
[Na+].COC(=O)c1ccc(I)cc1S(=O)(=O)[N-]C(=O)Nc2nc(C)nc(OC)n2
Molecular Formula
C14 H13 I N5 O6 S . Na
Molecular Weight
529.24
InChI
InChI=1S/C14H14IN5O6S.Na/c1-7-16-12(19-14(17-7)26-3)18-13(22)20-27(23,24)10-6-8(15)4-5-9(10)11(21)25-2;/h4-6H,1-3H3,(H2,16,17,18,19,20,22);/q;+1/p-1
Additionnal Information
IUPAC name: sodium;(5-iodo-2-methoxycarbonylphenyl)sulfonyl-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]azanide
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Iodosulfuron-methyl-sodium

Iodosulfuron-methyl-sodium is a broad spectrum, post-emergence herbicide used throughout the world for treating wheat and other cereals. It is classified as an imidazolinone herbicide. Iodosulfuron-methyl-sodium inhibits the acetohydroxy acid synthase (AHAS) enzyme which is responsible for the synthesis of the branched chain amino acids valine, leucine, and isoleucine. When applied, Iodosulfuron-methyl-sodium halts weed growth which eventually kills the weed or causes the weed to die due to its incapability to compete with surrounding vegetation.

CAS Number144550-36-7
PubChem CID16760189
IUPAC Namesodium (5-iodo-2-methoxycarbonylphenyl)sulfonyl-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]azanide
Molecular FormulaC14H13IN5NaO6S
Molecular Weight529.24
Topological Polar Surface Area147
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity651
SMILES
CC1=NC(=NC(=N1)OC)NC(=O)[N-]S(=O)(=O)C2=C(C=CC(=C2)I)C(=O)OC.[Na+]
InChI
InChI=1S/C14H14IN5O6S.Na/c1-7-16-12(19-14(17-7)26-3)18-13(22)20-27(23,24)10-6-8(15)4-5-9(10)11(21)25-2;/h4-6H,1-3H3,(H2,16,17,18,19,20,22);/q;+1/p-1
InChIKey
JUJFQMPKBJPSFZ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Iodosulfuron-methyl-sodium
CAS: 144550-36-7
CID: 16760189
Formula: C14H13IN5NaO6S
MW: 529.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight529.24
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass528.95290
Monoisotopic Mass528.95290
Topological Polar Surface Area147 Ų
Heavy Atom Count28
Formal Charge0
Complexity651
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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