2-喹喔啉硫醇结构式
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常用名 | 2-喹喔啉硫醇 | 英文名 | 2-quinoxalinethiol |
|---|---|---|---|---|
| CAS号 | 6962-54-5 | 分子量 | 162.21200 | |
| 密度 | 1.32g/cm3 | 沸点 | 307ºC at 760 mmHg | |
| 分子式 | C8H6N2S | 熔点 | 192-195ºC | |
| MSDS | N/A | 闪点 | 139.5ºC |
| 中文名 | 2-喹喔啉硫醇 |
|---|---|
| 英文名 | 1H-quinoxaline-2-thione |
| 中文别名 | 2-喹噁啉硫醇 |
| 英文别名 | 更多 |
| 密度 | 1.32g/cm3 |
|---|---|
| 沸点 | 307ºC at 760 mmHg |
| 熔点 | 192-195ºC |
| 分子式 | C8H6N2S |
| 分子量 | 162.21200 |
| 闪点 | 139.5ºC |
| 精确质量 | 162.02500 |
| PSA | 64.58000 |
| LogP | 1.91850 |
| InChIKey | INQXGZFDGDSRIF-UHFFFAOYSA-N |
| SMILES | S=c1cnc2ccccc2[nH]1 |
| 折射率 | 1.709 |
| 储存条件 | 2-8°C, 惰性气体 |
| 分子结构 | 1、 摩尔折射率:48.45 2、 摩尔体积(cm3/mol):122.6 3、 等张比容(90.2K):347.9 4、 表面张力(dyne/cm):64.8 5、 极化率(10-24cm3):19.20 |
| 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56.5 7.重原子数量:11 8.表面电荷:0 9.复杂度:200 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 |
| 更多 | 1. 熔点(ºC):192-195 |
| 风险声明 (欧洲) | 36-36/37/38 |
|---|---|
| 安全声明 (欧洲) | 26-36/37/39 |
| 海关编码 | 2933990090 |
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~%
2-喹喔啉硫醇 6962-54-5 |
| 文献:Phosphorus and Sulfur and the Related Elements, , vol. 8, p. 205 - 208 |
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~82%
2-喹喔啉硫醇 6962-54-5 |
| 文献:Iijima; Kyo Chemical and Pharmaceutical Bulletin, 1989 , vol. 37, # 3 p. 618 - 620 |
|
~%
2-喹喔啉硫醇 6962-54-5 |
| 文献:Chemical Research in Toxicology, , vol. 9, # 7 p. 1092 - 1102 |
|
~%
2-喹喔啉硫醇 6962-54-5 |
| 文献:Chemical Research in Toxicology, , vol. 9, # 7 p. 1092 - 1102 |
|
~65%
2-喹喔啉硫醇 6962-54-5 |
| 文献:Chemical and Pharmaceutical Bulletin, , vol. 37, # 3 p. 618 - 620 |
|
~%
2-喹喔啉硫醇 6962-54-5 |
| 文献:Chemical Research in Toxicology, , vol. 9, # 7 p. 1092 - 1102 |
| 海关编码 | 2933990090 |
|---|---|
| 中文概述 | 2933990090. 其他仅含氮杂原子的杂环化合物. 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, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期 |
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. 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: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:Fluorescence-based cell-based primary high throughput screening assay to identify pos...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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实验名称:Fluorescence polarization-based biochemical high throughput primary assay to identify...
来源:The Scripps Research Institute Molecular Screening Center
靶标:RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id:SIAE_INH_FP_1536_1X%INH PRUN
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实验名称:Absorbance-based primary biochemical high throughput screening assay to identify acti...
来源:The Scripps Research Institute Molecular Screening Center
靶标:caspase-3 preproprotein [Homo sapiens]
External Id:PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
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| 2-mercaptoquinoxaline |
| 2-Quinoxalinethiol |
| MFCD00138789 |
| quinoxaline-2-thiol |
| quinoxalinethiol |