Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- O=S(=O)(CCO)c1ccccc1
- InChIKey
- PQVYYVANSPZIKE-UHFFFAOYSA-N
- 分子式
- C8H10O3S
- 平均分子量
- 186.23 g/mol
- 单同位素质量
- 186.03506535
COMPUTED
结构计算性质
- XLogP
- 0.6
- 极性表面积
- 62.8 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 3
- 重原子
- 12
- 形式电荷
- 0
- 复杂度
- 209
物化、安全与法规信息正在同步。
ALIASES
名称与别名
2-(Phenylsulfonyl)ethanolETHANOL, 2-(PHENYLSULFONYL)-BRN 1952741Phenyl-2-hydroxyethyl sulfoneDTXSID901746234-06-00-01494 (Beilstein Handbook Reference)RefChem:84866DTXCID0097114626-035-7PQVYYVANSPZIKE-UHFFFAOYSA-N20611-21-62-(Benzenesulfonyl)ethanol2-benzenesulfonyl-ethanolFenyl-2-hydroxyethylsulfon2-(phenylsulphonyl)ethanolMFCD001341792-Phenylsulfonylethanol2-(Benzenesulfonyl)Ethan-1-OlFenyl-2-hydroxyethylsulfon [Czech]Fenyl-beta-hydroxyethylsulfon [Czech]
REACTIONS
参与反应
uspto-grants-1999_05 · 10.6084/m9.figshare.5104873.v1 · US05902905
查看Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
查看uspto-grants-2001_03 · 10.6084/m9.figshare.5104873.v1 · US06201131B1
查看uspto-grants-2001_03 · 10.6084/m9.figshare.5104873.v1 · US06201131B1
查看uspto-grants-2001_03 · 10.6084/m9.figshare.5104873.v1 · US06201131B1
查看uspto-grants-2001_03 · 10.6084/m9.figshare.5104873.v1 · US06201131B1
查看Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D
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