5-phenyl-2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
TL;DR: 5-phenyl-2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one (CAS 294653-45-5) is a chemical compound with molecular formula C12H8N2OS2 and molecular weight 260.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Also Known As: 2-Mercapto-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one, 2-mercapto-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, 5-phenyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one, 5-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one, AE-848/33842046
| Molecular Formula | C12H8N2OS2 |
|---|---|
| Molecular Weight | 260.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.0078 |
| Heavy Atoms | 17 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 294653-45-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=S)N3 |
| InChIKey | KDJLLIJKLJMQID-UHFFFAOYSA-N |
Product Overview
5-phenyl-2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one (CAS 294653-45-5), with molecular formula C12H8N2OS2 and molecular weight 260.01 g/mol. IUPAC: 5-phenyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 5-phenyl-2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
Property Insights of 5-phenyl-2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-phenyl-2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-phenyl-2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one. Following Lipinski's Rule of Five, 5-phenyl-2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one has 2 hydrogen bond donor(s) and 3 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 5-phenyl-2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one?
The CAS number of 5-phenyl-2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one is 294653-45-5.
What is the molecular formula of 5-phenyl-2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one?
The molecular formula of 5-phenyl-2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one is C12H8N2OS2.
What is the molecular weight of 5-phenyl-2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one?
The molecular weight of 5-phenyl-2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one is 260.01 g/mol.
Where can I buy 5-phenyl-2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one?
You can request a quote for 5-phenyl-2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-phenyl-2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-phenyl-2-sulfanyl-3H,4H-thieno(2,3-d)pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.