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(6Z)-6-(3H-benzothiazol-2-ylidene)-4-nitro-cyclohexa-2,4-dien-1-one

更新时间:2025-08-26 13:14:40

(6Z)-6-(3H-benzothiazol-2-ylidene)-4-nitro-cyclohexa-2,4-dien-1-one结构式
(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
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

 名称

英文名 6-(3H-1,3-benzothiazol-2-ylidene)-4-nitrocyclohexa-2,4-dien-1-one
英文别名 更多

 物理化学性质

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

 合成线路

~77%

(6Z)-6-(3H-benzothiazol-2-ylidene)-4-nitro-cyclohexa-2,4-dien-1-one结构式

(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

~65%

(6Z)-6-(3H-benzothiazol-2-ylidene)-4-nitro-cyclohexa-2,4-dien-1-one结构式

(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

~%

(6Z)-6-(3H-benzothiazol-2-ylidene)-4-nitro-cyclohexa-2,4-dien-1-one结构式

(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

~%

(6Z)-6-(3H-benzothiazol-2-ylidene)-4-nitro-cyclohexa-2,4-dien-1-one结构式

(6Z)-6-(3H-benz...

6276-77-3

文献:Bogert; Hess Recueil des Travaux Chimiques des Pays-Bas, 1929 , vol. 48, p. 905

 靶点实验

查看更多实验

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
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
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
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
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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 英文别名

2-benzothiazol-2-yl-4-nitro-phenol
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