![4-[4-(Difluoromethoxy)phenyl]pyrimidine-2-thiol structure](/static/products/828/828273-06-9.png)
4-[4-(Difluoromethoxy)phenyl]pyrimidine-2-thiol
TL;DR: 4-[4-(Difluoromethoxy)phenyl]pyrimidine-2-thiol (CAS 828273-06-9) is a chemical compound with molecular formula C11H8F2N2OS and molecular weight 254.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-(difluoromethoxy)phenyl]-1H-pyrimidine-2-thione
Also Known As: 4-(4-(Difluoromethoxy)phenyl)pyrimidine-2-thiol, 4-[4-(difluoromethoxy)phenyl]pyrimidine-2-thiol, 4-(4-Difluoromethoxy-phenyl)-pyrimidine-2-thiol, 6-[4-(difluoromethoxy)phenyl]-1H-pyrimidine-2-thione, 4-4-(difluoromethoxy)phenylpyrimidine-2-thiol
| Molecular Formula | C11H8F2N2OS |
|---|---|
| Molecular Weight | 254.03 g/mol |
| LogP | 3.40759 |
| Topological Polar Surface Area | 37.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.03255 |
| Heavy Atoms | 17 |
| Complexity | 553.89795 |
Chemical Identifiers
| CAS Number | 828273-06-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=NC(=S)N2)OC(F)F |
Product Overview
4-[4-(Difluoromethoxy)phenyl]pyrimidine-2-thiol (CAS 828273-06-9), with molecular formula C11H8F2N2OS and molecular weight 254.03 g/mol. IUPAC: 6-[4-(difluoromethoxy)phenyl]-1H-pyrimidine-2-thione.
Chemical Property Profile of 4-[4-(Difluoromethoxy)phenyl]pyrimidine-2-thiol
Property Insights of 4-[4-(Difluoromethoxy)phenyl]pyrimidine-2-thiol
The XLogP value of 3.40759 indicates that 4-[4-(Difluoromethoxy)phenyl]pyrimidine-2-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.91 Ų, 4-[4-(Difluoromethoxy)phenyl]pyrimidine-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[4-(Difluoromethoxy)phenyl]pyrimidine-2-thiol 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 4-[4-(Difluoromethoxy)phenyl]pyrimidine-2-thiol?
The CAS number of 4-[4-(Difluoromethoxy)phenyl]pyrimidine-2-thiol is 828273-06-9.
What is the molecular formula of 4-[4-(Difluoromethoxy)phenyl]pyrimidine-2-thiol?
The molecular formula of 4-[4-(Difluoromethoxy)phenyl]pyrimidine-2-thiol is C11H8F2N2OS.
What is the molecular weight of 4-[4-(Difluoromethoxy)phenyl]pyrimidine-2-thiol?
The molecular weight of 4-[4-(Difluoromethoxy)phenyl]pyrimidine-2-thiol is 254.03 g/mol.
Where can I buy 4-[4-(Difluoromethoxy)phenyl]pyrimidine-2-thiol?
You can request a quote for 4-[4-(Difluoromethoxy)phenyl]pyrimidine-2-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(Difluoromethoxy)phenyl]pyrimidine-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(Difluoromethoxy)phenyl]pyrimidine-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.