HCID18425769

4-Pyrrolidin-3-ylsulfanylphenol

C10H13NOS195.28 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: Oc1ccc(SC2CCNC2)cc1
InChIKey: YEQYNLSUGBPNCH-UHFFFAOYSA-N
分子式: C10H13NOS
平均分子量: 195.28 g/mol
单同位素质量: 195.07178521

COMPUTED

结构计算性质

已同步

XLogP: 1.8
极性表面积: 57.6 Å²
氢键供体: 2
氢键受体: 3
可旋转键: 2
重原子: 13
形式电荷: 0
复杂度: 157

ALIASES

名称与别名

共 1 条

AKOS011611997

REACTIONS

参与反应

8 条

HRID 191923 反应方程式

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

HRID 1127107 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

HRID 1152083 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

HRID 1203550 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

HRID 1206334 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

HRID 1212206 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

HRID 1539737 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

HRID 2330122 反应方程式

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