HCID13037598

3-(bromomethyl)Isothiazole

3-(bromomethyl)-1,2-thiazole

C4H4BrNS178.05 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: BrCc1ccsn1
InChIKey: FVJGRFFQOBEQSX-UHFFFAOYSA-N
分子式: C4H4BrNS
平均分子量: 178.05 g/mol
单同位素质量: 176.92478

COMPUTED

结构计算性质

已同步

XLogP: 1.6
极性表面积: 41.1 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 1
重原子: 7
形式电荷: 0
复杂度: 59

ALIASES

名称与别名

共 10 条

3-(bromomethyl)Isothiazole4576-91-43-(bromomethyl)-1,2-thiazole3-bromomethylisothiazole3-bromomethyl-isothiazoleSCHEMBL2024929FVJGRFFQOBEQSX-UHFFFAOYSA-NDB-070681CS-05301723-(BROMOMETHYL)ISOTHIAZOLE(WXC08610)

REACTIONS

相关反应

76 条

uspto-grants-1979_04 · 10.6084/m9.figshare.5104873.v1 · US04151288

查看

uspto-grants-1979_04 · 10.6084/m9.figshare.5104873.v1 · US04151288

查看

uspto-grants-1979_04 · 10.6084/m9.figshare.5104873.v1 · US04151288

查看

uspto-grants-1980_09 · 10.6084/m9.figshare.5104873.v1 · US04220652

查看

uspto-grants-1980_09 · 10.6084/m9.figshare.5104873.v1 · US04221802

查看

uspto-grants-1980_09 · 10.6084/m9.figshare.5104873.v1 · US04221802

查看

uspto-grants-1980_09 · 10.6084/m9.figshare.5104873.v1 · US04221802

查看

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

查看