uspto-grants-1978_12 · 10.6084/m9.figshare.5104873.v1 · US04129657
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IDENTITY
结构与身份
- 标准SMILES
- CCCS(N)(=O)=O
- InChIKey
- DROIHSMGGKKIJT-UHFFFAOYSA-N
- 分子式
- C3H9NO2S
- 平均分子量
- 123.18 g/mol
- 单同位素质量
- 123.0353997
COMPUTED
结构计算性质
- XLogP
- -0.2
- 极性表面积
- 68.5 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 2
- 重原子
- 7
- 形式电荷
- 0
- 复杂度
- 120
物化、安全与法规信息正在同步。
ALIASES
名称与别名
Propane-1-sulphonamideRefChem:868868696-085-2Propane-1-sulfonamide24243-71-8Propanesulfonamide1-PropanesulfonamideMFCD03550611Propane-1-sulfonamide (~90%)n-propanesulphonamidePropansulfonamidpropanesulphonamiden-propylsulfonamideSCHEMBL28096SCHEMBL28097SCHEMBL104706SCHEMBL104707SCHEMBL4820413DTXSID40392158DROIHSMGGKKIJT-UHFFFAOYSA-N
REACTIONS
相关反应
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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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
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uspto-grants-2002_04 · 10.6084/m9.figshare.5104873.v1 · US06365603B1
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uspto-grants-1998_12 · 10.6084/m9.figshare.5104873.v1 · US05843942
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uspto-grants-1993_06 · 10.6084/m9.figshare.5104873.v1 · US05216026
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