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6-Ethyl-2-mercaptothieno[2,3-D]pyrimidin-4(3H)-one
TL;DR: 6-Ethyl-2-mercaptothieno[2,3-D]pyrimidin-4(3H)-one (CAS 406926-03-2) is a chemical compound with molecular formula C8H8N2OS2 and molecular weight 212.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Also Known As: 6-ETHYL-2-MERCAPTOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, 6-ethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one, 6-ethyl-2-sulfanylidene-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-4-one, 6-ethyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1h)-one, 6-ethyl-2-sulfanyl-3-hydrothiopheno[2,3-d]pyrimidin-4-one
| Molecular Formula | C8H8N2OS2 |
|---|---|
| Molecular Weight | 212.01 g/mol |
| LogP | 2.20959 |
| Topological Polar Surface Area | 48.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.00781 |
| Heavy Atoms | 13 |
| Complexity | 549.00476 |
Chemical Identifiers
| CAS Number | 406926-03-2 |
|---|---|
| SMILES | CCC1=CC2=C(S1)NC(=S)NC2=O |
Product Overview
6-Ethyl-2-mercaptothieno[2,3-D]pyrimidin-4(3H)-one (CAS 406926-03-2), with molecular formula C8H8N2OS2 and molecular weight 212.01 g/mol. IUPAC: 6-ethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 6-Ethyl-2-mercaptothieno[2,3-D]pyrimidin-4(3H)-one
Property Insights of 6-Ethyl-2-mercaptothieno[2,3-D]pyrimidin-4(3H)-one
The XLogP value of 2.20959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Ethyl-2-mercaptothieno[2,3-D]pyrimidin-4(3H)-one. With a topological polar surface area (TPSA) of 48.65 Ų, 6-Ethyl-2-mercaptothieno[2,3-D]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Ethyl-2-mercaptothieno[2,3-D]pyrimidin-4(3H)-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 6-Ethyl-2-mercaptothieno[2,3-D]pyrimidin-4(3H)-one?
The CAS number of 6-Ethyl-2-mercaptothieno[2,3-D]pyrimidin-4(3H)-one is 406926-03-2.
What is the molecular formula of 6-Ethyl-2-mercaptothieno[2,3-D]pyrimidin-4(3H)-one?
The molecular formula of 6-Ethyl-2-mercaptothieno[2,3-D]pyrimidin-4(3H)-one is C8H8N2OS2.
What is the molecular weight of 6-Ethyl-2-mercaptothieno[2,3-D]pyrimidin-4(3H)-one?
The molecular weight of 6-Ethyl-2-mercaptothieno[2,3-D]pyrimidin-4(3H)-one is 212.01 g/mol.
Where can I buy 6-Ethyl-2-mercaptothieno[2,3-D]pyrimidin-4(3H)-one?
You can request a quote for 6-Ethyl-2-mercaptothieno[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 6-Ethyl-2-mercaptothieno[2,3-D]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Ethyl-2-mercaptothieno[2,3-D]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.