HCID12543863

4-Methyl-5-[(2-aminoethyl)thiomethyl]oxazole

2-[(4-methyl-1,3-oxazol-5-yl)methylsulfanyl]ethanamine

C7H12N2OS172.25 g/mol

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IDENTITY

结构与身份

标准SMILES: Cc1ncoc1CSCCN
InChIKey: QCWHIZIEUXIMIM-UHFFFAOYSA-N
分子式: C7H12N2OS
平均分子量: 172.25 g/mol
单同位素质量: 172.06703418

COMPUTED

结构计算性质

已同步

XLogP: 0.3
极性表面积: 77.4 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 4
重原子: 11
形式电荷: 0
复杂度: 113

ALIASES

名称与别名

共 5 条

SCHEMBL9637649QCWHIZIEUXIMIM-UHFFFAOYSA-N4-methyl-5-[(2-aminoethyl)thiomethyl]oxazole5-[(2-aminoethyl)thiomethyl]-4-methyloxazole5-[(2-aminoethyl)thiomethyl]-4- methyloxazole

REACTIONS

参与反应

43 条

uspto-grants-1979_04 · 10.6084/m9.figshare.5104873.v1 · US04151288

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uspto-grants-1979_04 · 10.6084/m9.figshare.5104873.v1 · US04151288

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uspto-grants-1979_04 · 10.6084/m9.figshare.5104873.v1 · US04151288

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uspto-grants-1979_04 · 10.6084/m9.figshare.5104873.v1 · US04151288

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

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uspto-grants-1977_04 · 10.6084/m9.figshare.5104873.v1 · US04018931

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uspto-grants-1977_04 · 10.6084/m9.figshare.5104873.v1 · US04018931

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uspto-grants-1977_04 · 10.6084/m9.figshare.5104873.v1 · US04018931

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