2-氨基-5-(4-甲氧基苯基)-1,3,4-噻二唑结构式
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常用名 | 2-氨基-5-(4-甲氧基苯基)-1,3,4-噻二唑 | 英文名 | 2-Amino-5-(4-methoxyphenyl)-1,3,4-thiadiazole |
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| CAS号 | 1014-25-1 | 分子量 | 207.25200 | |
| 密度 | 1.32g/cm3 | 沸点 | 393.1ºC at 760mmHg | |
| 分子式 | C9H9N3OS | 熔点 | ≥300 °C(lit.) | |
| MSDS | N/A | 闪点 | 191.6ºC |
| 中文名 | 2-氨基-5-(4-甲氧基苯基))-1,3,4-噻二唑 |
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| 英文名 | 5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine |
| 中文别名 | 2-氨基-5-(4-甲氧基苯基)-1,3,4-噻二唑 |
| 英文别名 | 更多 |
| 密度 | 1.32g/cm3 |
|---|---|
| 沸点 | 393.1ºC at 760mmHg |
| 熔点 | ≥300 °C(lit.) |
| 分子式 | C9H9N3OS |
| 分子量 | 207.25200 |
| 闪点 | 191.6ºC |
| 精确质量 | 207.04700 |
| PSA | 89.27000 |
| LogP | 2.37710 |
| InChIKey | UJBCFMCQLVRXBQ-UHFFFAOYSA-N |
| SMILES | COc1ccc(-c2nnc(N)s2)cc1 |
| 蒸汽压 | 2.18E-06mmHg at 25°C |
| 折射率 | 1.636 |
| 储存条件 | 2-8°C,避光,保存于惰性气体中 |
| 分子结构 | 1、摩尔折射率:56.32 2、摩尔体积(cm3/mol):156.9 3、等张比容(90.2K):434.5 4、表面张力(dyne/cm):58.8 5、介电常数:无可用的 6、极化率(10-24cm3):22.32 7、单一同位素质量:207.046632 Da 8、标称质量:207 Da 9、平均质量:207.2523 Da |
| 计算化学 | 1.疏水参数计算参考值(XlogP):1.7 2.氢键供体数量:1 3.氢键受体数量:5 4.可旋转化学键数量:2 5.互变异构体数量:2 6.拓扑分子极性表面积89.3 7.重原子数量:14 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: Irritant; |
|---|---|
| 风险声明 (欧洲) | R36/37/38 |
| 安全声明 (欧洲) | S26-S36 |
| WGK德国 | 3 |
| 海关编码 | 2934999090 |
| 2-氨基-5-(4-甲氧基苯基)-1,3,4-噻二唑上游产品 8 | |
|---|---|
| 2-氨基-5-(4-甲氧基苯基)-1,3,4-噻二唑下游产品 1 | |
| 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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| 2-amino-5-p-anisylthiadiazole |
| 5-(4-Methoxy-phenyl)-[1,3,4]thiadiazol-2-ylamine |
| 5-amino-2-(4'-methoxyphenyl)-1,3,4-thiadiazole |
| 2-amino-5-(4-methoxyphenyl)-(1,3,4)-thiadiazole |
| 5-(4-methoxyphenyl)-1,3,4-thiadiazole-2-ylamine |
| MFCD00813220 |
| 2-amino-5-(p-anisyl)-1,3,4-thiadiazole |
| 2-amino-5-(p-methoxyphenyl)-1,3,4-thiadiazole |