HCID74499

Trimethylsulfoxonium

C3H9OS+93.17 g/molCAS 47987-92-8

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IDENTITY

结构与身份

标准SMILES: C[S+](C)(C)=O
InChIKey: YRYSAWZMIRQUBO-UHFFFAOYSA-N
分子式: C3H9OS+
平均分子量: 93.17 g/mol
单同位素质量: 93.03741108

COMPUTED

结构计算性质

等待补全

XLogP: 0.3
极性表面积: 18.1 Å²
氢键供体: 0
氢键受体: 1
可旋转键: 0
重原子: 5
形式电荷: 1
复杂度: 53

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 9 条

trimethylsulfoxonium47987-92-8CHEMBL1183173SCHEMBL29566454YRYSAWZMIRQUBO-UHFFFAOYSA-DTXSID30275729YRYSAWZMIRQUBO-UHFFFAOYSA-NNS00040834InChI=1/C3H9OS/c1-5(2,3)4/h1-3H3/q+1

REACTIONS

参与反应

208 条

HRID 88337 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

HRID 89176 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

HRID 95804 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

HRID 96191 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

HRID 100402 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

HRID 100616 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

HRID 102288 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

HRID 102892 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D