HCID7222

Benzothiazole

1,3-benzothiazole

C7H5NS135.19 g/molCAS 95-16-9

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IDENTITY

结构与身份

标准SMILES: c1ccc2scnc2c1
InChIKey: IOJUPLGTWVMSFF-UHFFFAOYSA-N
分子式: C7H5NS
平均分子量: 135.19 g/mol
单同位素质量: 135.01427034

COMPUTED

结构计算性质

等待补全

XLogP: 2
极性表面积: 41.1 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 0
重原子: 9
形式电荷: 0
复杂度: 105

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 114 条

BENZOTHIAZOLE95-16-91,3-BenzothiazoleBenzosulfonazole1-Thia-3-azaindeneVangard BTUSAF EK-4812FEMA No. 3256FEMA Number 3256DTXSID7024586O-2857CHEBI:45993G5BW2593EPNSC-8040DTXCID204586RefChem:118563202-396-2BENZO[D]THIAZOLEbenzothiazolMFCD00005775

REACTIONS

参与反应

146 条

uspto-grants-2008_09 · 10.6084/m9.figshare.5104873.v1 · US07429667B2

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uspto-grants-1982_08 · 10.6084/m9.figshare.5104873.v1 · US04342771

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

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uspto-grants-1981_03 · 10.6084/m9.figshare.5104873.v1 · US04254229

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

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

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

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

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