Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- Cc1nc(C(C)C)cs1
- InChIKey
- SRTOJEUVLKLAGK-UHFFFAOYSA-N
- 分子式
- C7H11NS
- 平均分子量
- 141.24 g/mol
- 单同位素质量
- 141.06122053
COMPUTED
结构计算性质
- XLogP
- 2.5
- 极性表面积
- 41.1 Ų
- 氢键供体
- 0
- 氢键受体
- 2
- 可旋转键
- 1
- 重原子
- 9
- 形式电荷
- 0
- 复杂度
- 92
PROPERTIES
实验与物化性质
Kovats Retention Index
1514
PHARMACOLOGY
药理信息
Cellular Locations
Membrane
ALIASES
名称与别名
4-Isopropyl-2-methylthiazole32272-52-92-methyl-4-(propan-2-yl)-1,3-thiazoleThiazole, 4-isopropyl-2-methyl-Thiazole, 2-methyl-4-(1-methylethyl)-2-Methyl-4-(1-methylethyl)thiazole4-Isopropyl-2-methyl-Thiazole2-Methyl-4-(1-methylethyl)-Thiazole2-Methyl-4-(1-methylethyl)thiazole, 9CIRefChem:88114SRTOJEUVLKLAGK-UHFFFAOYSA-N2-methyl-4-propan-2-yl-1,3-thiazole4-Isopropyl-2-methyl-1,3-thiazoleSCHEMBL179318SCHEMBL2264899DTXSID001377240HBA272524-(1-Methylethyl)-2-methylthiazoleAKOS006282511DA-20634
REACTIONS