![2-(benzylsulfanyl)-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one structure](/static/products/3122/312285-52-2.webp)
2-(benzylsulfanyl)-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one
TL;DR: 2-(benzylsulfanyl)-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 312285-52-2) is a chemical compound with molecular formula C16H16N2OS2 and molecular weight 316.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
Also Known As: ChemDiv2_005128, IDI1_003843, BAS 00527708, 2-(benzylsulfanyl)-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one, 2-(benzylthio)-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C16H16N2OS2 |
|---|---|
| Molecular Weight | 316.07 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 86.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.0704 |
| Heavy Atoms | 21 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 312285-52-2 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=CC=CC=C3)C)C |
| InChIKey | WCFFURSZJHAZJV-UHFFFAOYSA-N |
Product Overview
2-(benzylsulfanyl)-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one (CAS 312285-52-2), with molecular formula C16H16N2OS2 and molecular weight 316.07 g/mol. IUPAC: 2-benzylsulfanyl-3,5,6-trimethylthieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 2-(benzylsulfanyl)-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one
Property Insights of 2-(benzylsulfanyl)-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one
The XLogP value of 4.1 indicates that 2-(benzylsulfanyl)-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzylsulfanyl)-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one. Following Lipinski's Rule of Five, 2-(benzylsulfanyl)-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one has 0 hydrogen bond donor(s) and 4 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 2-(benzylsulfanyl)-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one?
The CAS number of 2-(benzylsulfanyl)-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one is 312285-52-2.
What is the molecular formula of 2-(benzylsulfanyl)-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular formula of 2-(benzylsulfanyl)-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one is C16H16N2OS2.
What is the molecular weight of 2-(benzylsulfanyl)-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one?
The molecular weight of 2-(benzylsulfanyl)-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one is 316.07 g/mol.
Where can I buy 2-(benzylsulfanyl)-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one?
You can request a quote for 2-(benzylsulfanyl)-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylsulfanyl)-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfanyl)-3,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.