Acetoprole
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基本情報
- CAS
209861-58-5- 標準SMILES
CC(=O)c1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1S(C)=O- InChIKey
GDZNYEZGJAFIKA-UHFFFAOYSA-N- 分子式
- C13H10Cl2F3N3O2S
- 平均分子量
- 400.2 g/mol
- 単同位体質量
- 398.98228758
概要
Acetoprole is a phenylpyrazole insecticide that is 3-acetyl-1H-pyralole which is substituted at positions 1, 4, and 5 by 2,6-dichloro-4-(trifluoromethyl)phenyl, methylsulfinyl, and amino groups, respectively. A GABA-gated chloride channel antagonist, it was formerly used as an insecticide and acaricide for the control of sucking and chewing insect pests. It has a role as an acaricide, a nematicide and a GABA-gated chloride channel antagonist. It is a sulfoxide, a dichlorobenzene, a phenylpyrazole insecticide, a primary amino compound, an aromatic ketone and a member of (trifluoromethyl)benzenes.
名称と識別子
- 優先名称
- Acetoprole
- IUPAC
- 1-[5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfinylpyrazol-3-yl]ethanone
- 英語名
- acetoprole
- 分子式
- C13H10Cl2F3N3O2S
- 分子量
- 400.2036096
名称と別名
Acetoprole209861-58-5Acetoprole [ISO]6PH9942U0UUNII-6PH9942U0UDTXSID0058017CHEBI:133321RPA-1157821-[5-amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-(methylsulfinyl)pyrazol-3-yl]ethanone1-[5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(methylsulfinyl)-1H-pyrazol-3-yl]ethanone1-{5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(methylsulfinyl)-1H-pyrazol-3-yl}ethanoneETHANONE, 1-(5-AMINO-1-(2,6-DICHLORO-4-(TRIFLUOROMETHYL)PHENYL)-4-(METHYLSULFINYL)-1H-PYRAZOL-3-YL)-
名称をさらに表示
1-(5-amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(methylsulfinyl)-1H-pyrazol-3-yl)ethanone1-(5-amino-1-(2,6-dichloro-alpha,alpha,alpha-trifluoro-p-tolyl)-4-(methylsulfinyl)pyrazol-3-yl)ethanoneRefChem:109016DTXCID30317851-[5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfinylpyrazol-3-yl]ethanone1-(5-Amino-1-(2,6-dichloro-4-(trifluoromethyl)phenyl)-4-(methylsulfinyl)-1h-pyrazol-3-yl)ethan-1-oneSCHEMBL25897NS00133912
データベース識別子
物性
構造計算による物性補完中
- XLogP
- 3.4
- 極性表面積
- 97.2 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 8
- 回転可能結合数
- 3
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 513
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