![3-(4-fluorophenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one structure](/static/products/5887/588711-33-5.webp)
3-(4-fluorophenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
TL;DR: 3-(4-fluorophenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS 588711-33-5) is a chemical compound with molecular formula C14H11FN2OS2 and molecular weight 306.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-5,6-dimethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
Also Known As: 3-(4-fluorophenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one, 3-(4-fluorophenyl)-2-mercapto-5,6-dimethylthieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-fluorophenyl)-5,6-dimethyl-2-thioxo-2,3-dihydrothieno[2,3-d]pyrimidin-4(1H)-one, 3-(4-fluorophenyl)-5,6-dimethyl-2-sulfanylthieno[2,3-d]pyrimidin-4(3H)-one, 3-(4-fluorophenyl)-5,6-dimethyl-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C14H11FN2OS2 |
|---|---|
| Molecular Weight | 306.03 g/mol |
| LogP | 3.86573 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.0297 |
| Heavy Atoms | 20 |
| Complexity | 919.2274 |
Chemical Identifiers
| CAS Number | 588711-33-5 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N(C(=S)N2)C3=CC=C(C=C3)F)C |
Product Overview
3-(4-fluorophenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one (CAS 588711-33-5), with molecular formula C14H11FN2OS2 and molecular weight 306.03 g/mol. IUPAC: 3-(4-fluorophenyl)-5,6-dimethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one.
Chemical Property Profile of 3-(4-fluorophenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
Property Insights of 3-(4-fluorophenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
The XLogP value of 3.86573 indicates that 3-(4-fluorophenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-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, 3-(4-fluorophenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-fluorophenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-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-(4-fluorophenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The CAS number of 3-(4-fluorophenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one is 588711-33-5.
What is the molecular formula of 3-(4-fluorophenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The molecular formula of 3-(4-fluorophenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one is C14H11FN2OS2.
What is the molecular weight of 3-(4-fluorophenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
The molecular weight of 3-(4-fluorophenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one is 306.03 g/mol.
Where can I buy 3-(4-fluorophenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
You can request a quote for 3-(4-fluorophenyl)-5,6-dimethyl-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 3-(4-fluorophenyl)-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-fluorophenyl)-5,6-dimethyl-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.