5-ethyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one (CAS 85944-23-6) — formula C12H14N2OS, molecular weight 234.32; category organic chemicals.
| CAS Number | 85944-23-6 |
|---|---|
| Molecular Formula | C12H14N2OS |
| Molecular Weight | 234.32 |
| LogP | 2.4 |
| Category | Organic Chemicals |
5-ethyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one is a carbon-based organic compound with CAS registry number 85944-23-6 and molecular formula C12H14N2OS (molecular weight 234.32), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 85944-23-6
Its molecular formula C12H14N2OS comprises 12 C, 14 H, 2 N, 1 O, 1 S atoms.
Also known as: 5-ethyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one · 5-乙基-8-硫杂-4,6-二氮杂三环[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one
Category: organic chemicals
The CAS registry number of 5-ethyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one is 85944-23-6.
Molecular formula C12H14N2OS, molecular weight 234.32.
It is also registered under: 5-ethyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one, 5-乙基-8-硫杂-4,6-二氮杂三环[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one.
Category: Organic Chemicals.
Independent reference data for 5-ethyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one (CAS 85944-23-6), compiled from public chemistry databases.
| CAS 号 | 85944-23-6 |
|---|---|
| PubChem CID | 723097 |
| 分子式 | C12H14N2OS |
| IUPAC 名称 | 2-ethyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one |
| UNII（FDA） | HMS1410K20 |
| Molecular Weight | 234.32 |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 234.08268425 |
| Monoisotopic Mass | 234.08268425 |
| Topological Polar Surface Area | 69.7 |
| Heavy Atom Count | 16 |
85944-23-6; 2-Ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-ol; 2-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one; 5-ethyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one; 2-Ethyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one; MFCD00454939; Enamine_005872; 2-ethyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one; Oprea1_450726; CHEMBL3956139; HMS1410K20; STL047061; 2-Ethyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one; AKOS000566116; AKOS005700400; WAY-312215
5-乙基-8-硫杂-4,6-二氮杂三环[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one · CAS 85944-23-6 · C12H14N2OS. UNII HMS1410K20.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 5-乙基-8-硫杂-4,6-二氮杂三环[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one