![1-(5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetone structure](/static/products/2196/219654-93-0.webp)
1-(5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetone
TL;DR: 1-(5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetone (CAS 219654-93-0) is a chemical compound with molecular formula C13H14N2OS2 and molecular weight 278.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)propan-2-one
Also Known As: BAS 02054152, 1-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetone, 1-(5,6,7,8-tetrahydrobenzo[b]thiopheno[3,2-e]pyrimidin-4-ylthio)acetone, 1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)propan-2-one
| Molecular Formula | C13H14N2OS2 |
|---|---|
| Molecular Weight | 278.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.05475 |
| Heavy Atoms | 18 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 219654-93-0 |
|---|---|
| SMILES | CC(=O)CSC1=NC=NC2=C1C3=C(S2)CCCC3 |
| InChIKey | APMYWOGPMNZLQF-UHFFFAOYSA-N |
Product Overview
1-(5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetone (CAS 219654-93-0), with molecular formula C13H14N2OS2 and molecular weight 278.05 g/mol. IUPAC: 1-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)propan-2-one.
Chemical Property Profile of 1-(5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetone
Property Insights of 1-(5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetone
The XLogP value of 3.4 indicates that 1-(5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetone. Following Lipinski's Rule of Five, 1-(5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetone?
The CAS number of 1-(5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetone is 219654-93-0.
What is the molecular formula of 1-(5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetone?
The molecular formula of 1-(5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetone is C13H14N2OS2.
What is the molecular weight of 1-(5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetone?
The molecular weight of 1-(5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetone is 278.05 g/mol.
Where can I buy 1-(5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetone?
You can request a quote for 1-(5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5,6,7,8-Tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)acetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.