1-(3-硝基苯基)-2-硫脲结构式
|
常用名 | 1-(3-硝基苯基)-2-硫脲 | 英文名 | Thiourea,N-(3-nitrophenyl)- |
|---|---|---|---|---|
| CAS号 | 709-72-8 | 分子量 | 197.21400 | |
| 密度 | 1.524g/cm3 | 沸点 | 340.9ºC at 760 mmHg | |
| 分子式 | C7H7N3O2S | 熔点 | 189ºC | |
| MSDS | N/A | 闪点 | 160ºC |
| 中文名 | 1-(3-硝基苯基)-2-硫脲 |
|---|---|
| 英文名 | (3-nitrophenyl)thiourea |
| 英文别名 | 更多 |
| 密度 | 1.524g/cm3 |
|---|---|
| 沸点 | 340.9ºC at 760 mmHg |
| 熔点 | 189ºC |
| 分子式 | C7H7N3O2S |
| 分子量 | 197.21400 |
| 闪点 | 160ºC |
| 精确质量 | 197.02600 |
| PSA | 115.96000 |
| LogP | 2.54680 |
| 折射率 | 1.759 |
| 计算化学 | 1.疏水参数计算参考值（XlogP）:无 2.氢键供体数量:2 3.氢键受体数量:3 4.可旋转化学键数量:1 5.互变异构体数量:3 6.拓扑分子极性表面积116 7.重原子数量:13 8.表面电荷:0 9.复杂度:216 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 |
|
~97%
1-(3-硝基苯基)-2-硫脲 709-72-8 |
| 文献：TAKEDA PHARMACEUTICAL COMPANY LIMITED Patent: WO2005/44793 A2, 2005 ; Location in patent: Page/Page column 108 ; WO 2005/044793 A2 |
|
~6%
1-(3-硝基苯基)-2-硫脲 709-72-8 |
| 文献：THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY; AUCKLAND UNISERVICES LIMITED Patent: WO2009/114552 A1, 2009 ; Location in patent: Page/Page column 147 ; |
|
~86%
1-(3-硝基苯基)-2-硫脲 709-72-8 |
| 文献：YUHAN CORPORATION; HUR, Youn; KIM, Dong-Hyun; KIM, Eun-Kyung; PARK, Jin-Hwi; JOO, Jae-Eun; KANG, Ho-Woong; OH, Se-Woong; KIM, Dong-Kyun; AHN, Kyoung-Kyu Patent: WO2013/43001 A1, 2013 ; Location in patent: Paragraph 241; 242 ; |
|
~60%
1-(3-硝基苯基)-2-硫脲 709-72-8 |
| 文献：Mahboobi, Siavosh; Dove, Stefan; Sellmer, Andreas; Winkler, Matthias; Eichhorn, Emerich; Pongratz, Herwig; Ciossek, Thomas; Baer, Thomas; Maier, Thomas; Beckers, Thomas Journal of Medicinal Chemistry, 2009 , vol. 52, # 8 p. 2265 - 2279 |
|
~50%
1-(3-硝基苯基)-2-硫脲 709-72-8 |
| 文献：Heng, Sabrina; Gryncel, Kimberly R.; Kantrowitz, Evan R. Bioorganic and Medicinal Chemistry, 2009 , vol. 17, # 11 p. 3916 - 3922 |
|
~%
1-(3-硝基苯基)-2-硫脲 709-72-8 |
| 文献：Tetrahedron Letters, , vol. 50, # 20 p. 2407 - 2410 |
|
~%
1-(3-硝基苯基)-2-硫脲 709-72-8 |
| 文献：Ukrainskii Khimicheskii Zhurnal (Russian Edition), , vol. 22, p. 363,365 Chem.Abstr., , p. 4358 Yakugaku Zasshi, , vol. 72, p. 328 Chem.Abstr., , p. 1627 |
|
~%
1-(3-硝基苯基)-2-硫脲 709-72-8 |
| 文献：Ukrainskii Khimicheskii Zhurnal (Russian Edition), , vol. 22, p. 363,365 Chem.Abstr., , p. 4358 Yakugaku Zasshi, , vol. 72, p. 328 Chem.Abstr., , p. 1627 |
|
~%
1-(3-硝基苯基)-2-硫脲 709-72-8 |
| 文献：Collection of Czechoslovak Chemical Communications, , vol. 49, # 9 p. 2103 - 2110 |
| 1-(3-硝基苯基)-2-硫脲上游产品 7 | |
|---|---|
| 1-(3-硝基苯基)-2-硫脲下游产品 4 | |
| 海关编码 | 2930909090 |
|---|---|
| 中文概述 | 2930909090. 其他有机硫化合物. 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:30.0% |
| 申报要素 | 品名, 成分含量, 用途 |
| Summary | 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
| 3-nitrophenylthiourea |
| MFCD00060541 |
![4-methyl-N-[(3-nitrophenyl)carbamothioyl]benzamide结构式](https://www.chemsrc.com/caspic/008/300819-86-7.png)
![N-[(3-nitrophenyl)thiocarbamoyl]benzamide结构式](https://www.chemsrc.com/caspic/263/94398-09-1.png)
CAS号89793-81-7
CAS号73458-39-6
CAS号100958-73-4
CAS号5467-77-6