2-巯基-6-氯苯并噻唑结构式
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常用名 | 2-巯基-6-氯苯并噻唑 | 英文名 | 6-Chloro-2-mercaptobenzothiazole |
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| CAS号 | 51618-29-2 | 分子量 | 201.69600 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C7H4ClNS2 | 熔点 | N/A | |
| MSDS | N/A | 闪点 | N/A |
| 中文名 | 6-氯-2-巯基苯并噻唑 |
|---|---|
| 英文名 | 6-Chlorobenzo[d]thiazole-2-thiol |
| 英文别名 | 更多 |
| 分子式 | C7H4ClNS2 |
|---|---|
| 分子量 | 201.69600 |
| 精确质量 | 200.94700 |
| PSA | 79.93000 |
| LogP | 3.23840 |
| InChIKey | CLHLOHAQAADLRA-UHFFFAOYSA-N |
| SMILES | S=c1[nH]c2ccc(Cl)cc2s1 |
| 外观性状 | 固体 |
| 储存条件 | 室温,密封,干燥 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):无 2.氢键供体数量:1 3.氢键受体数量:2 4.可旋转化学键数量:0 5.互变异构体数量:2 6.拓扑分子极性表面积:69.4 7.重原子数量:11 8.表面电荷:0 9.复杂度:185 10.同位素原子数量:0 11.确定原子立构中心数量:0 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
| 危害码 (欧洲) | Xi |
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| 海关编码 | 2934999090 |
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~93%
2-巯基-6-氯苯并噻唑 51618-29-2 |
| 文献:Hoechst A.G. Patent: US4431813 A1, 1984 ; |
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~89%
2-巯基-6-氯苯并噻唑 51618-29-2 |
| 文献:Huang, Wei; Tan, Ying; Ding, Ming-Wu; Yang, Guang-Fu Synthetic Communications, 2007 , vol. 37, # 3 p. 369 - 376 |
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~82%
2-巯基-6-氯苯并噻唑 51618-29-2 |
| 文献:Franchini, Carlo; Muraglia, Marilena; Corbo, Filomena; Florio, Marco Antonio; Di Mola, Antonia; Rosato, Antonio; Matucci, Rosanna; Nesi, Marta; Van Bambeke, Francoise; Vitali, Cesare Archiv der Pharmazie, 2009 , vol. 342, # 10 p. 605 - 613 |
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~%
2-巯基-6-氯苯并噻唑 51618-29-2 |
| 文献:Schoenwald; Eller; Dixson; Barfknecht Journal of Medicinal Chemistry, 1984 , vol. 27, # 6 p. 810 - 812 |
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~86%
2-巯基-6-氯苯并噻唑 51618-29-2 |
| 文献:Schoenwald; Eller; Dixson; Barfknecht Journal of Medicinal Chemistry, 1984 , vol. 27, # 6 p. 810 - 812 |
| 2-巯基-6-氯苯并噻唑上游产品 6 | |
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| 2-巯基-6-氯苯并噻唑下游产品 2 | |
| 海关编码 | 2934999090 |
|---|---|
| 中文概述 | 2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0% |
| 申报要素 | 品名, 成分含量, 用途 |
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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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:Antibacterial activity against Staphylococcus aureus MRSA ATCC 43300 (CO-ADD:GP_020);...
来源:ChEMBL
靶标:Staphylococcus aureus
External Id:CHEMBL4296184
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实验名称:Antibacterial activity against Klebsiella pneumoniae MDR ATCC 70063 (CO-ADD:GN_003); ...
来源:ChEMBL
靶标:Klebsiella pneumoniae
External Id:CHEMBL4296186
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实验名称:Antibacterial activity against Escherichia coli ATCC 25922 (CO-ADD:GN_001); MIC in CA...
来源:ChEMBL
靶标:Escherichia coli
External Id:CHEMBL4296185
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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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| 6-chloro-3H-1,3-benzothiazole-2-thione |
| 6-Chloro-2-Mercaptobenzothiazole |