(6Z)-6-(3H-benzothiazol-2-ylidene)-4-nitro-cyclohexa-2,4-dien-1-one结构式
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常用名 | (6Z)-6-(3H-benzothiazol-2-ylidene)-4-nitro-cyclohexa-2,4-dien-1-one | 英文名 | (6Z)-6-(3H-benzothiazol-2-ylidene)-4-nitro-cyclohexa-2,4-dien-1-one |
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| CAS号 | 6276-77-3 | 分子量 | 272.27900 | |
| 密度 | 1.53g/cm3 | 沸点 | 361.3ºC at 760 mmHg | |
| 分子式 | C13H8N2O3S | 熔点 | N/A | |
| MSDS | N/A | 闪点 | 172.3ºC |
| 英文名 | 6-(3H-1,3-benzothiazol-2-ylidene)-4-nitrocyclohexa-2,4-dien-1-one |
|---|---|
| 英文别名 | 更多 |
| 密度 | 1.53g/cm3 |
|---|---|
| 沸点 | 361.3ºC at 760 mmHg |
| 分子式 | C13H8N2O3S |
| 分子量 | 272.27900 |
| 闪点 | 172.3ºC |
| 精确质量 | 272.02600 |
| PSA | 107.18000 |
| LogP | 4.10030 |
| InChIKey | NJTASTNGXOTNOF-UHFFFAOYSA-N |
| SMILES | O=[N+]([O-])c1ccc(O)c(-c2nc3ccccc3s2)c1 |
| 折射率 | 1.745 |
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~77%
(6Z)-6-(3H-benz... 6276-77-3 |
| 文献:Banerjee, Arghya; Bera, Anupam; Guin, Srimanta; Rout, Saroj Kumar; Patel, Bhisma K. Tetrahedron, 2013 , vol. 69, # 9 p. 2175 - 2183 |
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~65%
(6Z)-6-(3H-benz... 6276-77-3 |
| 文献:Meghdadi, Soraia; Amirnasr, Mehdi; Ford, Peter C. Tetrahedron Letters, 2012 , vol. 53, # 51 p. 6950 - 6953 |
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~%
(6Z)-6-(3H-benz... 6276-77-3 |
| 文献:Anthony, Kevin; Brown, Robert G.; Hepworth, John D.; Hodgson, Kevin W.; May, Bernadette; West, Michael A. Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), 1984 , p. 2111 - 2118 |
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~%
(6Z)-6-(3H-benz... 6276-77-3 |
| 文献:Bogert; Hess Recueil des Travaux Chimiques des Pays-Bas, 1929 , vol. 48, p. 905 |
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实验名称:NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
来源:DTP/NCI
靶标:N/A
External Id:MCF7_OneDose
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实验名称:NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
来源:DTP/NCI
靶标:N/A
External Id:IGROV1_OneDose
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实验名称:Cell-based high throughput primary assay to identify activators of GPR151
来源:The Scripps Research Institute Molecular Screening Center
靶标:RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id:GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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实验名称:AlphaScreen-based biochemical high throughput primary assay to identify activators of...
来源:The Scripps Research Institute Molecular Screening Center
靶标:N/A
External Id:FBW7_ACT_ALPHA_1536_1X%ACT PRUN
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实验名称:AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
来源:The Scripps Research Institute Molecular Screening Center
External Id:MITF_INH_Alpha_1536_1X%INH PRUN
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| 2-benzothiazol-2-yl-4-nitro-phenol |