5-18-12-00225(贝尔斯坦手册参考)(CAS 51486-13-6):分子式 C13H18N2O2S2、分子量 298.4。
| CAS号 | 51486-13-6 |
|---|---|
| 分子式 | C13H18N2O2S2 |
| 分子量 | 298.4 |
| LogP | 3.5 |
5-18-12-00225(贝尔斯坦手册参考) 是一种化工化合物,登记 CAS 号为 51486-13-6,分子式 C13H18N2O2S2(分子量 298.4)。
登记 CAS 号:51486-13-6
其分子式 C13H18N2O2S2 由 13 个碳、18 个氢、2 个氮、2 个氧、2 个硫 组成。
别名/同义词:5-18-12-00225(贝尔斯坦手册参考) · 5-18-12-00225 (Beilstein Handbook Reference)
5-18-12-00225(贝尔斯坦手册参考) 的 CAS 登记号为 51486-13-6。
分子式 C13H18N2O2S2,分子量 298.4。
别名/同义词:5-18-12-00225(贝尔斯坦手册参考)、5-18-12-00225 (Beilstein Handbook Reference)。
5-18-12-00225(贝尔斯坦手册参考)(CAS 51486-13-6)的独立参考数据,整理自公开化学数据库。
| CAS 号 | 51486-13-6 |
|---|---|
| PubChem CID | 736267 |
| 分子式 | C13H18N2O2S2 |
| IUPAC 名称 | ethyl 2-(methylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| UNII(FDA) | HMS2886K06 |
| Molecular Weight | 298.4 |
|---|---|
| XLogP3 | 3.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 298.08097017 |
| Monoisotopic Mass | 298.08097017 |
| Topological Polar Surface Area | 111 |
| Heavy Atom Count | 19 |
51486-13-6; Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(((methylamino)thioxomethyl)amino)-, ethyl ester; DTXSID00199463; benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(methylamino)thioxomethyl]amino]-, ethyl ester; Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[(methylamino)thioxomethyl]amino]-, ethyl ester; RefChem:1078820; DTXCID30121954; Ethyl 2-(3-methylthioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate; ethyl 2-{[(methylamino)carbonothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate; MFCD00128345; ethyl 2-[(methylcarbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate; MLS000756629; Ethyl 2-([(methylamino)carbonothioyl]amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate; ethyl 2-(methylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate; ETHYL 2-[[(METHYLAMINO)CARBONOTHIOYL]AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE; SR-01000216900
5-18-12-00225(贝尔斯坦手册参考) · CAS 51486-13-6 · C13H18N2O2S2. UNII HMS2886K06.
数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。
English page: 5-18-12-00225 (Beilstein Handbook Reference)