HCID178527986

1-phenyltetrazole-5-thiol

C7H6N4S178.22 g/mol

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IDENTITY

结构与身份

标准SMILES: Sc1nnnn1-c1ccccc1
InChIKey: GGZHVNZHFYCSEV-UHFFFAOYSA-N
分子式: C7H6N4S
平均分子量: 178.22 g/mol
单同位素质量: 178.03131738

COMPUTED

结构计算性质

已同步

XLogP: 1
极性表面积: 44.6 Å²
氢键供体: 1
氢键受体: 4
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 148

REACTIONS

参与反应

68 条

HRID 70519 反应方程式

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822503B2

HRID 97886 反应方程式

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

HRID 109158 反应方程式

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

HRID 135173 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

HRID 140376 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

HRID 150369 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

HRID 172354 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

HRID 177940 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D