HCID21893

(2,2-Dimethyl-1,3-dithiolan-4-yl)methanol

C6H12OS2164.3 g/molCAS 5694-47-3

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IDENTITY

结构与身份

标准SMILES: CC1(C)SCC(CO)S1
InChIKey: MPNNLCONPWKVOX-UHFFFAOYSA-N
分子式: C6H12OS2
平均分子量: 164.3 g/mol
单同位素质量: 164.03295735

COMPUTED

结构计算性质

已同步

XLogP: 1.4
极性表面积: 70.8 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 9
形式电荷: 0
复杂度: 103

ALIASES

名称与别名

共 16 条

(2,2-dimethyl-1,3-dithiolan-4-yl)methanol5694-47-3DTXSID30972382RefChem:1049578DTXCID5013998552,2-Dimethyl-1,3-dithiolane-4-methanolBRN 01045132,2-Dimethyl-4-hydroxymethyl-1,3-dithiolane1,3-DITHIOLANE-4-METHANOL, 2,2-DIMETHYL-2,2-Dimethyl-4-hydroxymethyl-1,3-dithiolan5-19-02-00379 (Beilstein Handbook Reference)SCHEMBL2369369MPNNLCONPWKVOX-UHFFFAOYSA-NAKOS024328881AT32503(2,2-Dimethyl-1,3-dithiolan-4-yl)methan-1-ol

REACTIONS

参与反应

4 条

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

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uspto-grants-1987_10 · 10.6084/m9.figshare.5104873.v1 · US04702763

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uspto-grants-1987_10 · 10.6084/m9.figshare.5104873.v1 · US04702763

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Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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