HCID96588

Benzothiazoline

2,3-dihydro-1,3-benzothiazole

C7H7NS137.2 g/molCAS 4433-52-7

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: c1ccc2c(c1)NCS2
InChIKey: WOHLSTOWRAOMSG-UHFFFAOYSA-N
分子式: C7H7NS
平均分子量: 137.2 g/mol
单同位素质量: 137.0299204

COMPUTED

结构计算性质

等待补全

XLogP: 2.3
极性表面积: 37.3 Å²
氢键供体: 1
氢键受体: 2
可旋转键: 0
重原子: 9
形式电荷: 0
复杂度: 105

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 29 条

Benzothiazoline2,3-Dihydrobenzothiazole4433-52-7Benzothiazole, 2,3-dihydro-T7B4556D2ANSC-81218DTXSID30196142RefChem:118567DTXCID401186332,3-dihydro-1,3-benzothiazole2,3-dihydrobenzo[d]thiazoleSCHEMBL19400SCHEMBL26747SCHEMBL57942SCHEMBL449607SCHEMBL582683UNII-T7B4556D2ASCHEMBL2026637SCHEMBL2028082SCHEMBL3820837

REACTIONS

相关反应

52 条

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

查看

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

查看

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

查看

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

查看

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

查看

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

查看

uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08367843B2

查看

uspto-grants-2013_02 · 10.6084/m9.figshare.5104873.v1 · US08367843B2

查看