5-(2-噻吩)-1H-吡唑结构式
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常用名 | 5-(2-噻吩)-1H-吡唑 | 英文名 | 3-(2-thienyl)pyrazole |
|---|---|---|---|---|
| CAS号 | 19933-24-5 | 分子量 | 150.20100 | |
| 密度 | 1.297g/cm3 | 沸点 | 152 °C (1.6 mmHg) | |
| 分子式 | C7H6N2S | 熔点 | 97-99 °C | |
| MSDS | 美版 | 闪点 | 143.4ºC |
| 中文名 | 3-(2-噻吩)吡唑 |
|---|---|
| 英文名 | 5-thiophen-2-yl-1H-pyrazole |
| 中文别名 | 3-(2-噻吩基)吡唑 | 5-(2-噻吩)-1H-吡唑 |
| 英文别名 | 更多 |
| 密度 | 1.297g/cm3 |
|---|---|
| 沸点 | 152 °C (1.6 mmHg) |
| 熔点 | 97-99 °C |
| 分子式 | C7H6N2S |
| 分子量 | 150.20100 |
| 闪点 | 143.4ºC |
| 精确质量 | 150.02500 |
| PSA | 56.92000 |
| LogP | 2.13820 |
| InChIKey | TVNDPZYOQCCHTJ-UHFFFAOYSA-N |
| SMILES | c1csc(-c2ccn[nH]2)c1 |
| 外观性状 | 淡绿色细松软的粉末 |
| 蒸汽压 | 0.00139mmHg at 25°C |
| 折射率 | 1.641 |
| 储存条件 | 在密封的贮藏器内,并放置阴凉,干燥的地方保存 |
| 稳定性 | 如果按照规则使用和储存则不会分解 避免接触 氧化物 |
| 分子结构 | 五、分子性质数据: 1、 摩尔折射率:41.75 2、 摩尔体积(m3/mol):115.7 3、 等张比容(90.2K):317.5 4、 表面张力(dyne/cm):56.6 5、 极化率(10-24cm3):16.55 |
| 计算化学 | 1.疏水参数计算参考值(XlogP):1.6 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:1 5.互变异构体数量:2 6.拓扑分子极性表面积56.9 7.重原子数量:10 8.表面电荷:0 9.复杂度:118 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.性状:未确定 2.密度(g/mL,25/4℃):未确定 3.相对蒸汽密度(g/mL,空气=1):未确定 4.熔点(ºC ):97-99 5.沸点(ºC,常压):152 °C (1.6 mmHg) 6.沸点(ºC,5.2kPa):未确定 7.折射率:未确定 8.闪点(ºC):未确定 9.比旋光度(º):未确定 10.自燃点或引燃温度(ºC):未确定 11.蒸气压(kPa,25ºC):未确定 12.饱和蒸气压(kPa,60ºC):未确定 13.燃烧热(KJ/mol):未确定 14.临界温度(ºC):未确定 15.临界压力(KPa):未确定 16.油水(辛醇/水)分配系数的对数值:未确定 17.爆炸上限(%,V/V):未确定 18.爆炸下限(%,V/V):未确定 19.溶解性:未确定 |
| 危害码 (欧洲) | Xi:Irritant; |
|---|---|
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | S37/39-S24/25 |
| 海关编码 | 2934999090 |
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~69%
5-(2-噻吩)-1H-吡唑 19933-24-5 |
| 文献:Al-Omran, Fatima; Al-Awadi, Nouria; El-Khair, Adel Abou; Elnagdi, Mohammed Hilmy Organic Preparations and Procedures International, 1997 , vol. 29, # 3 p. 285 - 292 |
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~%
5-(2-噻吩)-1H-吡唑 19933-24-5 |
| 文献:Tetrahedron Letters, , vol. 39, # 20 p. 3287 - 3290 |
|
~%
5-(2-噻吩)-1H-吡唑 19933-24-5 |
| 文献:Organic Preparations and Procedures International, , vol. 29, # 3 p. 285 - 292 |
|
~%
5-(2-噻吩)-1H-吡唑 19933-24-5 |
| 文献:Journal of Chemical Research, Miniprint, , # 1 p. 151 - 163 |
| 5-(2-噻吩)-1H-吡唑上游产品 4 | |
|---|---|
| 5-(2-噻吩)-1H-吡唑下游产品 0 | |
| 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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来源:Johns Hopkins Ion Channel Center
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External Id:JHICC_RGS_Act_HTS
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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
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实验名称:uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
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靶标:N/A
External Id:BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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实验名称:A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
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External Id:HMS979
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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
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| MFCD00178757 |
| 3-thiophen-2-yl-1h-pyrazole |
| 3-(2-THIENYL)PYRAZOLE |
| 2-pyrazol-3-ylthiophene |