HCID3000476

N-(2-(1-Cyclohexenyl)ethyl)-N'-[2-pyridyl]thiourea

1-[2-(cyclohexen-1-yl)ethyl]-3-pyridin-2-ylthiourea

C14H19N3S261.39 g/mol

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IDENTITY

结构与身份

标准SMILES: S=C(NCCC1=CCCCC1)Nc1ccccn1
InChIKey: HZOWTXNEZRCEHU-UHFFFAOYSA-N
分子式: C14H19N3S
平均分子量: 261.39 g/mol
单同位素质量: 261.12996879

COMPUTED

结构计算性质

已同步

XLogP: 2.8
极性表面积: 69 Å²
氢键供体: 2
氢键受体: 2
可旋转键: 4
重原子: 18
形式电荷: 0
复杂度: 301

ALIASES

名称与别名

共 7 条

SCHEMBL6950122HZOWTXNEZRCEHU-UHFFFAOYSA-NHI-5411-[2-(cyclohexen-1-yl)ethyl]-3-(2-pyridyl)thioureaN-(2-(1-Cyclohexenyl)ethyl)-N'-[2-pyridyl]thiourea1-(2-Cyclohex-1-enyl-ethyl)-3-pyridin-2-yl-thiourea-N-(2-(1-Cyclohexenyl)ethyl)-N'-[2-pyridyl] thiourea

REACTIONS

参与反应

4 条

uspto-grants-1997_01 · 10.6084/m9.figshare.5104873.v1 · US05593993

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uspto-grants-1998_02 · 10.6084/m9.figshare.5104873.v1 · US05714503

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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uspto-grants-1997_08 · 10.6084/m9.figshare.5104873.v1 · US05658907

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