![2-[(3-Fluorophenyl)methylsulfanyl]pyrimidine structure](/static/products/7123/712301-47-8.webp)
2-[(3-Fluorophenyl)methylsulfanyl]pyrimidine
TL;DR: 2-[(3-Fluorophenyl)methylsulfanyl]pyrimidine (CAS 712301-47-8) is a chemical compound with molecular formula C11H9FN2S and molecular weight 220.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-fluorophenyl)methylsulfanyl]pyrimidine
Also Known As: 2-[(3-fluorobenzyl)sulfanyl]pyrimidine, 2-[(3-fluorophenyl)methylsulfanyl]pyrimidine, 2-[(3-fluorophenyl)methylthio]pyrimidine
| Molecular Formula | C11H9FN2S |
|---|---|
| Molecular Weight | 220.05 g/mol |
| LogP | 2.908 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.04704 |
| Heavy Atoms | 15 |
| Complexity | 433.61288 |
Chemical Identifiers
| CAS Number | 712301-47-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)CSC2=NC=CC=N2 |
Product Overview
2-[(3-Fluorophenyl)methylsulfanyl]pyrimidine (CAS 712301-47-8), with molecular formula C11H9FN2S and molecular weight 220.05 g/mol. IUPAC: 2-[(3-fluorophenyl)methylsulfanyl]pyrimidine.
Chemical Property Profile of 2-[(3-Fluorophenyl)methylsulfanyl]pyrimidine
Property Insights of 2-[(3-Fluorophenyl)methylsulfanyl]pyrimidine
The XLogP value of 2.908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Fluorophenyl)methylsulfanyl]pyrimidine. With a topological polar surface area (TPSA) of 25.78 Ų, 2-[(3-Fluorophenyl)methylsulfanyl]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(3-Fluorophenyl)methylsulfanyl]pyrimidine has 0 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-[(3-Fluorophenyl)methylsulfanyl]pyrimidine?
The CAS number of 2-[(3-Fluorophenyl)methylsulfanyl]pyrimidine is 712301-47-8.
What is the molecular formula of 2-[(3-Fluorophenyl)methylsulfanyl]pyrimidine?
The molecular formula of 2-[(3-Fluorophenyl)methylsulfanyl]pyrimidine is C11H9FN2S.
What is the molecular weight of 2-[(3-Fluorophenyl)methylsulfanyl]pyrimidine?
The molecular weight of 2-[(3-Fluorophenyl)methylsulfanyl]pyrimidine is 220.05 g/mol.
Where can I buy 2-[(3-Fluorophenyl)methylsulfanyl]pyrimidine?
You can request a quote for 2-[(3-Fluorophenyl)methylsulfanyl]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Fluorophenyl)methylsulfanyl]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Fluorophenyl)methylsulfanyl]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.