HCID12888900

{5-[(Dimethylamino)methyl]furan-2-yl}methanethiol

[5-[(dimethylamino)methyl]furan-2-yl]methanethiol

C8H13NOS171.26 g/molCAS 80646-14-6

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IDENTITY

结构与身份

标准SMILES: CN(C)Cc1ccc(CS)o1
InChIKey: KLPXXRDSVDIUIL-UHFFFAOYSA-N
分子式: C8H13NOS
平均分子量: 171.26 g/mol
单同位素质量: 171.07178521

COMPUTED

结构计算性质

已同步

XLogP: 1
极性表面积: 17.4 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 3
重原子: 11
形式电荷: 0
复杂度: 119

ALIASES

名称与别名

共 7 条

80646-14-6{5-[(Dimethylamino)methyl]furan-2-yl}methanethiolSCHEMBL8409986SCHEMBL9839086DTXSID805123785-(N,N-dimethylaminomethyl)furfurylmercaptanNS00000915

REACTIONS

参与反应

3 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 (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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