Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-dimethyl-
3H-1,2,4-Triazole-3-thione, 5-(1,3-benzodioxol-5-yl)-2,4-dihydro-2,4-dimethyl- · 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(1,3-benzodioxol-5-yl)-2,4-d imethyl-
식별자 및 물리적 특성
| CAS No. | 110623-40-0 |
|---|---|
| 분자식 | C11H11N3O2S |
| 평균 분자량 | 249.295 g/mol |
| 단동위원소 질량 | 249.05719759 g/mol |
| SMILES | Cn1nc(-c2ccc3c(c2)OCO3)n(C)c1=S |
| InChIKey | VWCOOYWSPUKLGH-UHFFFAOYSA-N |
| PubChem CID | 3066613 |
| ChEMBL | CHEMBL22260 |
| DTXSID | DTXSID80149340 |
화학 및 물리적 성질
| 녹는점 | 142-144 °C(Solv: isopropanol (67-63-0)) |
|---|---|
| 끓는 점 | 332.9±52.0 °C(Predicted) |
| 밀도 | 1.46±0.1 g/cm3(Predicted) |
| pKa(산도 계수) | 0.15±0.20(Predicted) |