5-18-12-00225 (Beilstein Handbook Reference) (CAS 51486-13-6) — formula C13H18N2O2S2, molecular weight 298.4; category organic chemicals.
| CAS Number | 51486-13-6 |
|---|---|
| Molecular Formula | C13H18N2O2S2 |
| Molecular Weight | 298.4 |
| LogP | 3.5 |
| Category | Organic Chemicals |
5-18-12-00225 (Beilstein Handbook Reference) is a carbon-based organic compound with CAS registry number 51486-13-6 and molecular formula C13H18N2O2S2 (molecular weight 298.4), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 51486-13-6
Its molecular formula C13H18N2O2S2 comprises 13 C, 18 H, 2 N, 2 O, 2 S atoms.
Also known as: 5-18-12-00225 (Beilstein Handbook Reference) · 5-18-12-00225（贝尔斯坦手册参考）
Category: organic chemicals
The CAS registry number of 5-18-12-00225 (Beilstein Handbook Reference) is 51486-13-6.
Molecular formula C13H18N2O2S2, molecular weight 298.4.
It is also registered under: 5-18-12-00225 (Beilstein Handbook Reference), 5-18-12-00225（贝尔斯坦手册参考）.
Category: Organic Chemicals.
Independent reference data for 5-18-12-00225 (Beilstein Handbook Reference) (CAS 51486-13-6), compiled from public chemistry databases.
| 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.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 5-18-12-00225（贝尔斯坦手册参考）