基本情報
- CAS
1001500-60-2- 標準SMILES
Cc1cc(C(F)F)nn1Cc1n[nH]c(=S)n1C1CC1- InChIKey
XKHBRGUAGSEAQX-UHFFFAOYSA-N- 分子式
- C11H13F2N5S
- 平均分子量
- 285.32 g/mol
- 単同位体質量
- 285.08597293
名称と識別子
- 優先名称
- 4-Cyclopropyl-5-((3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl)methyl)-4H-1,2,4-triazole-3-thiol
- IUPAC
- 4-cyclopropyl-3-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1H-1,2,4-triazole-5-thione
- 英語名
- 4-cyclopropyl-5-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol
- 分子式
- C11H13F2N5S
- 分子量
- 285.32
名称と別名
1001500-60-24-Cyclopropyl-5-((3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl)methyl)-4H-1,2,4-triazole-3-thiol4-cyclopropyl-5-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl}-4H-1,2,4-triazole-3-thiol4-cyclopropyl-3-[[3-(difluoromethyl)-5-methylpyrazol-1-yl]methyl]-1H-1,2,4-triazole-5-thioneMFCD049697434-cyclopropyl-5-(3-difluoromethyl-5-methyl-pyrazol-1-ylmethyl)-4h-[1,2,4]triazole-3-thiolC11H13F2N5SDTXSID701109111SBB021987STK313198AKOS000310030CS-0280731
名称をさらに表示
3H-1,2,4-Triazole-3-thione, 4-cyclopropyl-5-[[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl]-2,4-dihydro-
EN300-2294924-cyclopropyl-5-[[3-(difluoromethyl)-5-methyl-pyrazol-1-yl]methyl]-1,2,4-triazole-3-thiol5-{[3-(difluoromethyl)-5-methylpyrazolyl]methyl}-4-cyclopropyl-1,2,4-triazole- 3-thiol4-cyclopropyl-3-[[3-(difluoromethyl)-5-methyl-pyrazol-1-yl]methyl]-1H-1,2,4-triazole-5-thione4-Cyclopropyl-5-(3-difluoromethyl-5-methyl-pyrazol -1-ylmethyl)-4H-[1,2,4]triazole-3-thiol4-Cyclopropyl-5-[[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
物性
構造計算による物性
- XLogP
- 1.7
- 極性表面積
- 77.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 5
- 回転可能結合数
- 4
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 412
物理化学的性質
- 沸点
- 375.8 · 375.8±52.0 °C(Predicted)
- 比重(密度)
- 1 · 1+-.0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 8.24 · 8.24±0.20(Predicted)
化学と産業
サプライヤー2 社
Fluorochem Ltd[email protected]
PRINCETON[email protected]
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