Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- CC=NS(=O)C(C)(C)C
- InChIKey
- SFPPCFXOSJAOKL-UHFFFAOYSA-N
- 分子式
- C6H13NOS
- 平均分子量
- 147.24 g/mol
- 单同位素质量
- 147.07178521
COMPUTED
结构计算性质
- XLogP
- 0.4
- 极性表面积
- 48.6 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 2
- 重原子
- 9
- 形式电荷
- 0
- 复杂度
- 134
ALIASES
名称与别名
(E)-N-ethylidene-2-methylpropane-2-sulfinamideN-ethylidene-2-methyl-2-propanesulfinamide2414100-52-8MFCD19200033(R,E)-N-Ethylidene-2-methylpropane-2-sulfinamideSCHEMBL443816SCHEMBL1182567SCHEMBL1182568SCHEMBL1182574SCHEMBL1182576SCHEMBL1369965SCHEMBL12890777SCHEMBL15928089SCHEMBL17258018SCHEMBL23070797SCHEMBL28691179SCHEMBL29542589SCHEMBL29543296SCHEMBL31692844SFPPCFXOSJAOKL-FNORWQNLSA-N
REACTIONS