6-(azepan-1-yl)-1-ethyl-4-methyl-5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxopyridine-3-carbonitrile结构式
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常用名 | 6-(azepan-1-yl)-1-ethyl-4-methyl-5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxopyridine-3-carbonitrile | 英文名 | 6-(azepan-1-yl)-1-ethyl-4-methyl-5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxopyridine-3-carbonitrile |
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| CAS号 | 7063-93-6 | 分子量 | 416.56000 | |
| 密度 | 1.36g/cm3 | 沸点 | 437.2ºC at 760 mmHg | |
| 分子式 | C20H24N4O2S2 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 218.2ºC |
| 英文名 | 6-(azepan-1-yl)-1-ethyl-4-methyl-5-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-oxopyridine-3-carbonitrile |
|---|---|
| 英文别名 | 更多 |
| 密度 | 1.36g/cm3 |
|---|---|
| 沸点 | 437.2ºC at 760 mmHg |
| 分子式 | C20H24N4O2S2 |
| 分子量 | 416.56000 |
| 闪点 | 218.2ºC |
| 精确质量 | 416.13400 |
| PSA | 126.73000 |
| LogP | 3.26258 |
| InChIKey | NMGISRUOSBWEHI-UHFFFAOYSA-N |
| SMILES | CCn1c(N2CCCCCC2)c(C=C2SC(=S)N(C)C2=O)c(C)c(C#N)c1=O |
| 折射率 | 1.668 |
|
~59%
6-(azepan-1-yl)... 7063-93-6 |
| 文献:Brandi, Alberto; Sarlo, Francesco De; Guarna, Antonio; Goti, Andrea Heterocycles, 1985 , vol. 23, # 8 p. 2019 - 2023 |
|
~%
6-(azepan-1-yl)... 7063-93-6 |
| 文献:Vagina,L.K. et al. Zhurnal Organicheskoi Khimii, 1966 , vol. 2, p. 417 - 423,414 - 420 |
| 3-methyl-5-vinylisoxazole |
| 6-(azepan-1-yl)-1-ethyl-4-methyl-5-[(3-methyl-4-oxo-2-sulfanylidene-thiazolidin-5-ylidene)methyl]-2-oxo-pyridine-3-carbonitrile |
| 5-Vinyl-3-methyl-isoxazol |