化工社化工社 化学情報印刷レポート · 研究参考用
methyl 2-((3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate
methyl 2-((3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate · METHYL {[3-(4-CHLOROPHENYL)-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL]SULFANYL}ACETATE · Acetic acid, 2-[[3-(4-chlorophenyl)-3,4,5,6,7,8-hexahydro-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl]thio]-, methyl ester · Methyl 2-{[4-(4-chlorophenyl)-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetate
![methyl 2-((3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate の分子構造式](/img/chemical/986113.png)
識別子と物理属性
| CAS No. | 613227-82-0 |
|---|---|
| 分子式 | C19H17ClN2O3S2 |
| 平均分子量 | 420.93 g/mol |
| SMILES | COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCCC3 |
| InChIKey | JTMRNABFKGAYES-UHFFFAOYSA-N |
| PubChem CID | 986113 |
| EC No. | 103-882-6 |
化学・物理的性質
| 沸点 | 618.6±65.0 °C(Predicted) |
|---|---|
| 密度 | 1.51±0.1 g/cm3(Predicted) |
| pKa（酸解離定数） | -1.65±0.20(Predicted) |