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
- O=CNNC(=S)Nc1ccccc1F
- InChIKey
- LGRFRFUFEFIFEN-UHFFFAOYSA-N
- 分子式
- C8H8FN3OS
- 平均分子量
- 213.23 g/mol
- 单同位素质量
- 213.03721122
COMPUTED
结构计算性质
- XLogP
- 0.9
- 极性表面积
- 85.3 Ų
- 氢键供体
- 3
- 氢键受体
- 3
- 可旋转键
- 1
- 重原子
- 14
- 形式电荷
- 0
- 复杂度
- 215
ALIASES
名称与别名
Hydrazinecarbothioamide, N-(2-fluorophenyl)-2-formyl-52747-71-4SCHEMBL11534972DTXSID10368426LGRFRFUFEFIFEN-UHFFFAOYSA-N1-Formyl-4-(2-fluorophenyl)thiosemicarbazide1-formyl-4-(2-fluorophenyl)-3-thiosemicarbazideSR-01000039938SR-01000039938-1N-(2-Fluorophenyl)-2-formylhydrazine-1-carbothioamide
REACTIONS
参与反应
uspto-grants-1976_02 · 10.6084/m9.figshare.5104873.v1 · US03937713
查看uspto-grants-1976_02 · 10.6084/m9.figshare.5104873.v1 · US03937713
查看uspto-grants-1978_04 · 10.6084/m9.figshare.5104873.v1 · US04082762
查看uspto-grants-1978_04 · 10.6084/m9.figshare.5104873.v1 · US04082762
查看uspto-grants-1979_01 · 10.6084/m9.figshare.5104873.v1 · US04134914
查看uspto-grants-1979_01 · 10.6084/m9.figshare.5104873.v1 · US04134914
查看