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3-ethyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one
TL;DR: 3-ethyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one (CAS 338401-79-9) 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.
3-ethyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
Also Known As: 3-ethyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one, 3-ethyl-2-sulfanylthieno[3,2-d]pyrimidin-4(3H)-one, 3-ethyl-2-sulfanyl-3H,4H-thieno[3,2-d]pyrimidin-4-one, 3-ethyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one, 3-ethyl-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
| Molecular Formula | C8H8N2OS2 |
|---|---|
| Molecular Weight | 212.01 g/mol |
| LogP | 2.14049 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.00781 |
| Heavy Atoms | 13 |
| Complexity | 549.00476 |
Chemical Identifiers
| CAS Number | 338401-79-9 |
|---|---|
| SMILES | CCN1C(=O)C2=C(C=CS2)NC1=S |
Product Overview
3-ethyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one (CAS 338401-79-9), with molecular formula C8H8N2OS2 and molecular weight 212.01 g/mol. IUPAC: 3-ethyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one.
Chemical Property Profile of 3-ethyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one
Property Insights of 3-ethyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one
The XLogP value of 2.14049 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-ethyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one. With a topological polar surface area (TPSA) of 37.79 Ų, 3-ethyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-ethyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one has 1 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 3-ethyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one?
The CAS number of 3-ethyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one is 338401-79-9.
What is the molecular formula of 3-ethyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one?
The molecular formula of 3-ethyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one is C8H8N2OS2.
What is the molecular weight of 3-ethyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one?
The molecular weight of 3-ethyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one is 212.01 g/mol.
Where can I buy 3-ethyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one?
You can request a quote for 3-ethyl-2-mercaptothieno[3,2-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 3-ethyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-ethyl-2-mercaptothieno[3,2-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.