HCID52997

Sulfometuron-methyl

methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate

C15H16N4O5S364.4 g/molCAS 74222-97-2

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IDENTITY

结构与身份

标准SMILES: COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)cc(C)n1
InChIKey: ZDXMLEQEMNLCQG-UHFFFAOYSA-N
分子式: C15H16N4O5S
平均分子量: 364.4 g/mol
单同位素质量: 364.0841408

COMPUTED

结构计算性质

等待补全

XLogP: 1.9
极性表面积: 136 Å²
氢键供体: 2
氢键受体: 7
可旋转键: 5
重原子: 25
形式电荷: 0
复杂度: 581

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 69 条

sulfometuron-methylSULFOMETURON METHYL74222-97-2OUSTDTXSID0034936methyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoateJLY5D60J1ADPX-5648CHEBI:9348DTXCID8014936Benzoic acid, 2-(((((4,6-dimethyl-2-pyrimidinyl)amino)carbonyl)amino)sulfonyl)-, methyl esterBenzoic acid, 2-[[[[(4,6-dimethyl-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]-, methyl estermethyl 2-((4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl)benzoateRefChem:889579277-780-6DPX-T5648Sulfometuron methyl esterCaswell No. 561DAa 5648Sulfometuron-methyl [ISO]

REACTIONS

参与反应

36 条

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-1986_05 · 10.6084/m9.figshare.5104873.v1 · US04591378

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uspto-grants-1986_05 · 10.6084/m9.figshare.5104873.v1 · US04591378

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-1990_01 · 10.6084/m9.figshare.5104873.v1 · US04892946

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uspto-grants-1985_10 · 10.6084/m9.figshare.5104873.v1 · US04545808

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uspto-grants-1985_10 · 10.6084/m9.figshare.5104873.v1 · US04545808

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