HCID221614

2,6-Dimethyl-4-thiocyanato-phenol

(4-hydroxy-3,5-dimethylphenyl) thiocyanate

C9H9NOS179.24 g/molCAS 3957-68-4

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IDENTITY

结构与身份

标准SMILES: Cc1cc(SC#N)cc(C)c1O
InChIKey: FAIBIGSVWBOKCX-UHFFFAOYSA-N
分子式: C9H9NOS
平均分子量: 179.24 g/mol
单同位素质量: 179.04048508

COMPUTED

结构计算性质

等待补全

XLogP: 1.9
极性表面积: 69.3 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 1
重原子: 12
形式电荷: 0
复杂度: 186

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 13 条

2,6-Dimethyl-4-thiocyanato-phenol3957-68-4DTXSID40278165RefChem:248496DTXCID302293234-hydroxy-3,5-dimethylphenyl thiocyanate2,6-Dimethyl-4-thiocyanatophenolNSC6503SCHEMBL4674100NSC-6503NSC31033NSC-31033Thiocyanic acid, 4-hydroxy-3,5-dimethylphenyl ester

REACTIONS

参与反应

2 条

uspto-grants-2005_11 · 10.6084/m9.figshare.5104873.v1 · US06964983B2

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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