Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- Cc1nc(N)sc1-c1ccc(Cl)c(S(C)(=O)=O)c1
- InChIKey
- ZVMIGNWPXSUFMG-UHFFFAOYSA-N
- 分子式
- C11H11ClN2O2S2
- 平均分子量
- 302.8 g/mol
- 单同位素质量
- 301.9950476
COMPUTED
结构计算性质
- XLogP
- 2.5
- 极性表面积
- 110 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 2
- 重原子
- 18
- 形式电荷
- 0
- 复杂度
- 398
ALIASES
名称与别名
5-[4-chloro-3-(methylsulfonyl)phenyl]-4-methyl-1,3-thiazol-2-amineSCHEMBL48627ZVMIGNWPXSUFMG-UHFFFAOYSA-N593959-38-7DB-3328095-(4-chloro-3-methanesufonyl-phenyl)-4-methyl-thiazol-2-ylamine5-(4-Chloro-3-methanesulfonyl-phenyl)-4-methyl-thiazol-2-ylamine
REACTIONS
参与反应
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
查看uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08129541B2
查看uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08129541B2
查看uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08129541B2
查看uspto-grants-2012_03 · 10.6084/m9.figshare.5104873.v1 · US08129541B2
查看uspto-grants-2012_04 · 10.6084/m9.figshare.5104873.v1 · US08153389B2
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