HCID83655

2-Acetyl-5-methylthiophene

1-(5-methylthiophen-2-yl)ethanone

C7H8OS140.2 g/molCAS 13679-74-8

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IDENTITY

结构与身份

标准SMILES: CC(=O)c1ccc(C)s1
InChIKey: YOSDTJYMDAEEAZ-UHFFFAOYSA-N
分子式: C7H8OS
平均分子量: 140.2 g/mol
单同位素质量: 140.02958605

COMPUTED

结构计算性质

等待补全

XLogP: 2
极性表面积: 45.3 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 1
重原子: 9
形式电荷: 0
复杂度: 122

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 59 条

2-Acetyl-5-methylthiophene1-(5-methylthiophen-2-yl)ethanoneEthanone, 1-(5-methyl-2-thienyl)-1-(5-Methyl-2-thienyl)ethan-1-one1-(5-Methyl-2-thienyl)ethanone1-(5-METHYLTHIOPHEN-2-YL)ETHAN-1-ONEKetone, methyl 5-methyl-2-thienyl5-methyl-2-acetylthiopheneMethylthienylcetone2-methyl-5-acetylthiopheneMethyl 5-methyl-2-thienyl ketoneMethylthienylcetone [French]BRN 0110854EINECS 237-181-2UNII-2HS3I278W9Thiophene, 2-acetyl-5-methylAI3-159002HS3I278W9FEMA NO. 4643YOSDTJYMDAEEAZ-UHFFFAOYSA-

REACTIONS

相关反应

13 条

uspto-grants-2014_09 · 10.6084/m9.figshare.5104873.v1 · US08822466B2

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

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uspto-grants-1987_02 · 10.6084/m9.figshare.5104873.v1 · US04645777

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uspto-grants-2011_09 · 10.6084/m9.figshare.5104873.v1 · US08022062B2

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Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D

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uspto-grants-1994_04 · 10.6084/m9.figshare.5104873.v1 · US05304554

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uspto-grants-2013_11 · 10.6084/m9.figshare.5104873.v1 · US08580780B2

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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