[({5-[(ISOPENTYLAMINO)CARBONYL]-1,2,4-OXADIAZOL-3-YL}METHYL)SULFANYL]ACETIC ACID 基本信息
| 中文名称 | [({5-[(ISOPENTYLAMINO)CARBONYL]-1,2,4-OXADIAZOL-3-YL}METHYL)SULFANYL]ACETIC ACID |
|---|---|
| 中文同义词 | 2-(((5-(异戊基氨基甲酰基)-1,2,4-噁二唑-3-基)甲基)硫代)乙酸 |
| 英文名称 | {[(5-{[(3-methylbutyl)amino]carbonyl}-1,2,4-oxadiazol-3-yl)methyl]thio}acetic acid |
| 英文同义词 | {[(5-{[(3-methylbutyl)amino]carbonyl}-1,2,4-oxadiazol-3-yl)methyl]thio}acetic acid;2-(((5-(ISOPENTYLCARBAMOYL)-1,2,4-OXADIAZOL-3-YL)METHYL)THIO)ACETIC ACID;Acetic acid, 2-[[[5-[[(3-methylbutyl)amino]carbonyl]-1,2,4-oxadiazol-3-yl]methyl]thio]- |
| CAS号 | 1119450-93-9 |
| 分子式 | C11H17N3O4S |
| 分子量 | 287.34 |
| EINECS号 | |
| 相关类别 | |
| Mol文件 | 1119450-93-9.mol |
| 结构式 | ![[({5-[(ISOPENTYLAMINO)CARBONYL]-1,2,4-OXADIAZOL-3-YL}METHYL)SULFANYL]ACETIC ACID 结构式](CAS/GIF/1119450-93-9.gif) |
[({5-[(ISOPENTYLAMINO)CARBONYL]-1,2,4-OXADIAZOL-3-YL}METHYL)SULFANYL]ACETIC ACID 性质
| 密度 | 1.286±0.06 g/cm3(Predicted) |
|---|---|
| 形态 | solid |
| 酸度系数(pKa) | 3.50±0.10(Predicted) |
| InChI | 1S/C11H17N3O4S/c1-7(2)3-4-12-10(17)11-13-8(14-18-11)5-19-6-9(15)16/h7H,3-6H2,1-2H3,(H,12,17)(H,15,16) |
| InChIKey | XSWPLOFBPMFKRU-UHFFFAOYSA-N |
| SMILES | O=C(NCCC(C)C)C1=NC(CSCC(O)=O)=NO1 |
安全信息
| WGK Germany | WGK 3 |
|---|---|
| 危险等级 | IRRITANT |
| 存储类别 | 11 - 可燃固体 |