ETHYL 4-ACETYL-3-METHYL-5-(METHYLTHIO)THIOPHENE-2-CARBOXYLATE结构式
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常用名 | ETHYL 4-ACETYL-3-METHYL-5-(METHYLTHIO)THIOPHENE-2-CARBOXYLATE | 英文名 | ETHYL 4-ACETYL-3-METHYL-5-(METHYLTHIO)THIOPHENE-2-CARBOXYLATE |
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| CAS号 | 74597-79-8 | 分子量 | 258.35700 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C11H14O3S2 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | N/A |
本表展示该化学物质的中文名称、英文系统名、各类中文与英文别名信息。
| 英文名 | ethyl 4-acetyl-3-methyl-5-methylsulfanylthiophene-2-carboxylate |
|---|---|
| 英文别名 | 更多 |
本表包含该物质理化参数,如熔点、沸点、密度、溶解度、旋光性等理化指标,无数据项标记为N/A。
| 分子式 | C11H14O3S2 |
|---|---|
| 分子量 | 258.35700 |
| 精确质量 | 258.03800 |
| PSA | 96.91000 |
| LogP | 3.15770 |
| InChIKey | QBWHYBOPMHDWHS-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1sc(SC)c(C(C)=O)c1C |
本表提供该化合物公开报道的合成路线、反应条件、反应物与产物参考信息。
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~59%
ETHYL 4-ACETYL-... 74597-79-8 |
| 文献:Sommen, Geoffroy; Comel, Alain; Kirsch, Gilbert Synthesis, 2003 , # 5 p. 735 - 741 |
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~96%
ETHYL 4-ACETYL-... 74597-79-8 |
| 文献:Sommen, Geoffroy; Comel, Alain; Kirsch, Gilbert Synthesis, 2003 , # 5 p. 735 - 741 |
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~%
ETHYL 4-ACETYL-... 74597-79-8 |
| 文献:Clarke, Kenneth; Fox, William Richard; Scrowston, Richard M. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1980 , p. 1029 - 1037 |
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~%
ETHYL 4-ACETYL-... 74597-79-8 |
| 文献:Clarke, Kenneth; Fox, William Richard; Scrowston, Richard M. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1980 , p. 1029 - 1037 |
本表记录该化合物靶点、体外体内实验、生物测定实验相关实验数据。
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实验名称:Primary cell-based high-throughput screening assay for identification of compounds th...
来源:Johns Hopkins Ion Channel Center
靶标:regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id:JHICC_RGS_Act_HTS
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实验名称:Luminescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id:OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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实验名称:QFRET-based biochemical primary high throughput screening assay to identify exosite i...
来源:The Scripps Research Institute Molecular Screening Center
靶标:disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id:ADAM17_INH_QFRET_1536_1X%INH PRUN
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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实验名称:uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
来源:Burnham Center for Chemical Genomics
靶标:N/A
External Id:BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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实验名称:High throughput fluorescence intensity-based biochemical assay to screen for small mo...
来源:University of Pittsburgh Molecular Library Screening Center
靶标:furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id:MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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实验名称:Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
来源:Broad Institute
靶标:FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id:2147-01_Inhibitor_SinglePoint_HTS_Activity
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实验名称:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
来源:Broad Institute
靶标:N/A
External Id:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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实验名称:Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
来源:Broad Institute
靶标:N/A
External Id:7124-01_Inhibitor_SinglePoint_HTS_Activity
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实验名称:Dicer-mediated maturation of pre-microRNA
来源:Center for Chemical Genomics, University of Michigan
靶标:N/A
External Id:TargetID_659_CEMA
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本表罗列该化合物全部英文别名、系统命名、CAS别名等英文名称集合。
| ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate |
| ethyl 4-acetyl-3-methyl-5-methylthiothiophen-2-carboxylate |
| ethyl 4-acetyl-3-methyl-5-n(methylsulfanyl)thiophene-2-carboxylate |
| ethyl 4-acetyl-3-methyl-5-(methylsulfanyl)thiophene-2-carboxylate |
本部分为该化合物相关常见问答,包含基础参数、性状、储存条件等高频咨询问题与对应答案。
| Q: 74597-79-8的CAS号是多少? |
| A: 74597-79-8CAS号为74597-79-8。 |
| Q: 74597-79-8有哪些英文别名? |
| A: 74597-79-8英文别名有:ethyl 4-acetyl-3-methyl-5-(methylthio)thiophene-2-carboxylate、 ethyl 4-acetyl-3-methyl-5-methylthiothiophen-2-carboxylate、 ethyl 4-acetyl-3-methyl-5-n(methylsulfanyl)thiophene-2-carboxylate、 ethyl 4-acetyl-3-methyl-5-(methylsulfanyl)thiophene-2-carboxylate。 |
| Q: 74597-79-8的LogP(油水分配系数)是多少? |
| A: 74597-79-8LogP(油水分配系数)为3.15770。 |
| Q: 74597-79-8的英文名称是什么? |
| A: 74597-79-8英文名称为ethyl 4-acetyl-3-methyl-5-methylsulfanylthiophene-2-carboxylate。 |
| Q: 74597-79-8的极性表面积PSA是多少? |
| A: 74597-79-8极性表面积PSA为96.91000。 |
| Q: 74597-79-8的InChIKey是什么? |
| A: 74597-79-8InChIKey为QBWHYBOPMHDWHS-UHFFFAOYSA-N。 |
| Q: 74597-79-8的SMILES表达式是什么? |
| A: 74597-79-8SMILES表达式为CCOC(=O)c1sc(SC)c(C(C)=O)c1C。 |
| Q: 74597-79-8的分子式是什么? |
| A: 74597-79-8分子式为C11H14O3S2。 |
| Q: 74597-79-8的中文名称是什么? |
| A: 74597-79-8的中文名称为74597-79-8。 |
| Q: 74597-79-8的分子量是多少? |
| A: 74597-79-8分子量为258.35700。 |