2-(3-methyl-1,4-dioxo-naphthalen-2-yl)sulfanylacetic acid

• 常用名: 2-(3-methyl-1,4-dioxo-naphthalen-2-yl)sulfanylacetic acid
• 英文名: 2-(3-methyl-1,4-dioxo-naphthalen-2-yl)sulfanylacetic acid
• CAS号: 6325-58-2
• 分子量: 262.28100
• 密度: 1.44g/cm3
• 沸点: 464.8ºC at 760 mmHg
• 分子式: C₁₃H₁₀O₄S
• 熔点: N/A
• 闪点: 234.9ºC

名称

• 英文名: 2-(3-methyl-1,4-dioxonaphthalen-2-yl)sulfanylacetic acid

物理化学性质

• 密度: 1.44g/cm3
• 沸点: 464.8ºC at 760 mmHg
• 分子式: C₁₃H₁₀O₄S
• 分子量: 262.28100
• 闪点: 234.9ºC
• 精确质量: 262.03000
• PSA: 96.74000
• LogP: 2.15740
• InChIKey: XATVOMBATOYURF-UHFFFAOYSA-N
• SMILES: CC1=C(SCC(=O)O)C(=O)c2ccccc2C1=O
• 折射率: 1.653

靶点实验

查看更多实验

实验名称：Binding affinity to S100A4 (unknown origin) assessed as inhibition of S100A4/myosin-2... 来源：ChEMBL 靶标：Protein S100-A4 External Id：CHEMBL4418534

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：Inhibition of human recombinant CDC25B 来源：ChEMBL 靶标：M-phase inducer phosphatase 2 External Id：CHEMBL991552

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英文别名

• 3-methylisoxazol-5-yl-methanol
• 5-Isoxazolemethanol,3-methyl
• (3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl-sulfanyl)acetic acid
• 3-methyl-5-isoxazolylmethanol
• (3-methyl-1,4-dioxo-1,4-dihydro-[2]naphthylsulfanyl)-acetic acid
• 3-methyl-5-isoxazolemethanol
• S-<3-Methyl-1,4-naphtochinon-2-yl>-thioglykolsaeure
• (3-methylisoxazol-5-yl)methan-1-ol
• 5-hydroxymethyl-3-methylisoxazole
• 3-methyl-5-hydroxymethylisoxazole
• (3-Methyl-1,4-dioxo-1,4-dihydro-[2]naphthylmercapto)-essigsaeure
• 3-(1,4-dihydro-2-methyl-1,4-dioxo-naphthalen-3-yl-thio)propionic acid