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2-mercapto-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one
TL;DR: 2-mercapto-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one (CAS 338751-59-0) 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.
3-phenyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one
Also Known As: 2-mercapto-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one, 3-phenyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one, 3-phenyl-2-thioxo-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one, 3-phenyl-2-sulfanyl-3H,4H-thieno[3,2-d]pyrimidin-4-one, 3-phenyl-2-thioxo-1H-thieno[3,2-d]pyrimidin-4-one
| Molecular Formula | C12H8N2OS2 |
|---|---|
| Molecular Weight | 260.01 g/mol |
| LogP | 3.10979 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.0078 |
| Heavy Atoms | 17 |
| Complexity | 783.366 |
Chemical Identifiers
| CAS Number | 338751-59-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=C(C=CS3)NC2=S |
Product Overview
2-mercapto-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one (CAS 338751-59-0), with molecular formula C12H8N2OS2 and molecular weight 260.01 g/mol. IUPAC: 3-phenyl-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-4-one.
Chemical Property Profile of 2-mercapto-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one
Property Insights of 2-mercapto-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one
The XLogP value of 3.10979 indicates that 2-mercapto-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, 2-mercapto-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-mercapto-3-phenylthieno[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 2-mercapto-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one?
The CAS number of 2-mercapto-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one is 338751-59-0.
What is the molecular formula of 2-mercapto-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one?
The molecular formula of 2-mercapto-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one is C12H8N2OS2.
What is the molecular weight of 2-mercapto-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one?
The molecular weight of 2-mercapto-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one is 260.01 g/mol.
Where can I buy 2-mercapto-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one?
You can request a quote for 2-mercapto-3-phenylthieno[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 2-mercapto-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-mercapto-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.