Basic information
- CAS
111353-84-5- Standard SMILES
CCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)O)n1- InChIKey
IRLGCAJYYKDTCG-UHFFFAOYSA-N- Molecular formula
- C14H16N6O6S
- Average molar mass
- 396.38 g/mol
- Monoisotopic mass
- 396.08520342
Overview
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.
Names & identifiers
- Preferred name
- Ethametsulfuron
- IUPAC
- 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoic acid
- English name
- Ethametsulfuron
- Molecular formula
- C14H16N6O6S
- Molecular weight
- 396.38
Names & synonyms
Ethametsulfuron111353-84-5Ethametsulfuron [ISO]UNII-TYY89AZD3VTYY89AZD3VCHEBI:145551DTXSID908695421-[(2-carboxyphenyl)sulfonyl]-3-[4-(methylamino)-6-ethoxy-1,3,5-triazine-2-yl]urea2-({[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoic acid2-((4-ETHOXY-6-METHYLAMINO-1,3,5-TRIAZIN-2-YL)CARBAMOYLSULFAMOYL)BENZOIC ACID2-(((((4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl)amino)carbonyl)amino)sulfonyl)benzoic acid2-[[[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]carbonyl]amino]sulfonyl]benzoic acid
Show more names
ETHAMETSULFURON-METHYL 97%IRLGCAJYYKDTCG-UHFFFAOYSA-NEthametsulfuron Sodium Salt [cas number of free form2-[(4-ETHOXY-6-METHYLAMINO-1,3,5-TRIAZIN-2-YL)CARBAMOYLSULFAMOYL]BENZOIC ACIDBenzoic acid, 2-[[[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]carbonyl]amino]sulfonyl]-
1-((2-carboxyphenyl)sulfonyl)-3-(4-(methylamino)-6-ethoxy-1,3,5-triazine-2-yl)urea2-(((4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl)carbamoyl)sulfamoyl)benzoic acidRefChem:138012DTXCID208175112-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoic acid2-[[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-oxomethyl]sulfamoyl]benzoic acidSCHEMBL127064SCHEMBL29376940
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 626
Physicochemical properties
- Density
- 1.565 · 1.565±0.06 g/cm3(Predicted)
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- pka
- 2.59 · 2.59±0.36(Predicted)
- color
- White
- FDA UNII
- 89 AZD3V · TYY89AZD3V
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Chemistry & industry
Applications
UsesEthametsulfuron is a herbicide. It has been used to study: the effects of protective enzymes and endogenous hormones of seedling under stress of ethametsulfuron; effects of ethametsulfuron on protective enzymes and endogenous hormones of rice seedling
Additional notes
DefinitionChEBI: 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 N-sulfonylurea, a member of benzoic acids, an aromatic ether and a diamino-1,3,5-triazine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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