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Ethametsulfuron

CAT: 0926-FE184404-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-FE184404-04Size:25 mg
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CAS Number
111353-84-5
Synonyms
2-[[[[[4-Ethoxy-6- (methylamino) -1,3,5-triazin-2-yl]amino]carbonyl]amino]sulfonyl]benzoic acid
Molecular Formula
C14H16N6O6S
Molecular Weight
396.38 g/mol
Controlled
No

Chemical Information

Ethametsulfuron

Ethametsulfuron is an N-sulfonylurea that is urea in which one of the nitrogens has been substituted by a 4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl group, while the other has been substituted by a (2-carboxyphenyl)sulfonyl group. It has a role as a herbicide. It is a member of benzoic acids, an aromatic ether, a diamino-1,3,5-triazine and a N-sulfonylurea.

CAS Number111353-84-5
PubChem CID86304
IUPAC Name2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoic acid
Molecular FormulaC14H16N6O6S
Molecular Weight396.38
XLogP1.5
Topological Polar Surface Area181
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity626
SMILES
CCOC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O)NC
InChI
InChI=1S/C14H16N6O6S/c1-3-26-14-18-11(15-2)16-12(19-14)17-13(23)20-27(24,25)9-7-5-4-6-8(9)10(21)22/h4-7H,3H2,1-2H3,(H,21,22)(H3,15,16,17,18,19,20,23)
InChIKey
IRLGCAJYYKDTCG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethametsulfuron
CAS: 111353-84-5
CID: 86304
Formula: C14H16N6O6S
MW: 396.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.38
XLogP31.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass396.08520342
Monoisotopic Mass396.08520342
Topological Polar Surface Area181 Ų
Heavy Atom Count27
Formal Charge0
Complexity626
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
TRC-E675810-100MGEthametsulfuron-methyl
AR-M04280-01Ethametsulfuron
DAG-WT1867OEthametsulfuron [OVA]
DAG-WT1867BEthametsulfuron [BSA]
TRC-E675813-50MGEthametsulfuron-methyl Sodium Salt
CABT-ZB057Mouse Anti-Ethametsulfuron monoclonal antibody, clone ESF

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