3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one (CAS 40106-31-8) — formula C11H12N2OS, molecular weight 220.29; category organic chemicals.
| CAS Number | 40106-31-8 |
|---|---|
| Molecular Formula | C11H12N2OS |
| Molecular Weight | 220.29 |
| LogP | 2.5 |
| Category | Organic Chemicals |
3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one is a carbon-based organic compound with CAS registry number 40106-31-8 and molecular formula C11H12N2OS (molecular weight 220.29), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 40106-31-8
Its molecular formula C11H12N2OS comprises 11 C, 12 H, 2 N, 1 O, 1 S atoms.
Also known as: 3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one · 2-丙基苯并咪唑
Category: organic chemicals
The CAS registry number of 3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one is 40106-31-8.
Molecular formula C11H12N2OS, molecular weight 220.29.
It is also registered under: 3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one, 2-丙基苯并咪唑.
Category: Organic Chemicals.
Independent reference data for 3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one (CAS 40106-31-8), compiled from public chemistry databases.
| CAS 号 | 40106-31-8 |
|---|---|
| PubChem CID | 218061 |
| 分子式 | C11H12N2OS |
| IUPAC 名称 | 8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one |
| UNII（FDA） | HMS5091H03 |
| Molecular Weight | 220.29 |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 220.06703418 |
| Monoisotopic Mass | 220.06703418 |
| Topological Polar Surface Area | 69.7 |
| Heavy Atom Count | 15 |
40106-31-8; 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-; 8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2(7),5-trien-3-one; BRN 0526629; DTXSID70193150; 1,5,6,7,8,9-Hexahydro-4H-cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one; 1,5,6,7,8,9-Hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one; 8-thia-4,6-diazatricyclo(7.5.0.0,2,7)tetradeca-1(9),2(7),5-trien-3-one; RefChem:527357; DTXCID80115641; 841-923-6; 3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one; 8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one; 6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one; 8-THIA-4,6-DIAZATRICYCLO[7.5.0.0(2),?]TETRADECA-1(9),2(7),5-TRIEN-3-ONE; 8-thia-4,6-diazatricyclo[7.5.0.0?,?]tetradeca-1(9),2(7),5-trien-3-one
| 已通报的危害声明 | H302 (100%), H315 (100%), H319 (100%), H335 (100%) |
|---|
2-丙基苯并咪唑 · CAS 40106-31-8 · C11H12N2OS. UNII HMS5091H03.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-丙基苯并咪唑