uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07767854B2
查看IDENTITY
结构与身份
- 标准SMILES
- CCS(=O)(=O)c1nnnn1-c1ccccc1
- InChIKey
- VZFCSFHTLJFUKD-UHFFFAOYSA-N
- 分子式
- C9H10N4O2S
- 平均分子量
- 238.27 g/mol
- 单同位素质量
- 238.05244675
COMPUTED
结构计算性质
- XLogP
- 1.2
- 极性表面积
- 86.1 Ų
- 氢键供体
- 0
- 氢键受体
- 5
- 可旋转键
- 3
- 重原子
- 16
- 形式电荷
- 0
- 复杂度
- 321
ALIASES
名称与别名
3206-46-05-Ethylsulfonyl-1-phenyl-1H-tetrazoleDTXSID30353798RefChem:303032DTXCID303048615-(ethylsulfonyl)-1-phenyl-1H-tetrazole5-ethylsulfonyl-1-phenyltetrazole1H-Tetrazole, 5-(ethylsulfonyl)-1-phenyl-HMS1689A085-(ethylsulfonyl)-1-phenyl-1H-tetraazoleCBMicro_001482Cambridge id 5929059SCHEMBL2978401VZFCSFHTLJFUKD-UHFFFAOYSA-NSMSF0009884CCG-23103MFCD00447901STK292412AKOS000284362CB02893
REACTIONS
参与反应
Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
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