4-(Difluoromethyl)-6-methylpyrimidine-2-thiol
TL;DR: 4-(Difluoromethyl)-6-methylpyrimidine-2-thiol (CAS 438221-08-0) is a chemical compound with molecular formula C6H6F2N2S and molecular weight 176.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(difluoromethyl)-6-methyl-1H-pyrimidine-2-thione
Also Known As: 4-(difluoromethyl)-6-methylpyrimidine-2-thiol, 4-Difluoromethyl-6-methyl-pyrimidine-2-thiol, 6-(difluoromethyl)-4-methylpyrimidine-2-thiol, 4-(difluoromethyl)-6-methyl-1H-pyrimidine-2-thione, 4-(difluoromethyl)-6-methyl-pyrimidine-2-thiol
| Molecular Formula | C6H6F2N2S |
|---|---|
| Molecular Weight | 176.02 g/mol |
| LogP | 2.38521 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.02197 |
| Heavy Atoms | 11 |
| Complexity | 307.69574 |
Chemical Identifiers
| CAS Number | 438221-08-0 |
|---|---|
| SMILES | CC1=CC(=NC(=S)N1)C(F)F |
Product Overview
4-(Difluoromethyl)-6-methylpyrimidine-2-thiol (CAS 438221-08-0), with molecular formula C6H6F2N2S and molecular weight 176.02 g/mol. IUPAC: 4-(difluoromethyl)-6-methyl-1H-pyrimidine-2-thione.
Chemical Property Profile of 4-(Difluoromethyl)-6-methylpyrimidine-2-thiol
Property Insights of 4-(Difluoromethyl)-6-methylpyrimidine-2-thiol
The XLogP value of 2.38521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Difluoromethyl)-6-methylpyrimidine-2-thiol. With a topological polar surface area (TPSA) of 28.68 Ų, 4-(Difluoromethyl)-6-methylpyrimidine-2-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Difluoromethyl)-6-methylpyrimidine-2-thiol has 1 hydrogen bond donor(s) and 2 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-(Difluoromethyl)-6-methylpyrimidine-2-thiol?
The CAS number of 4-(Difluoromethyl)-6-methylpyrimidine-2-thiol is 438221-08-0.
What is the molecular formula of 4-(Difluoromethyl)-6-methylpyrimidine-2-thiol?
The molecular formula of 4-(Difluoromethyl)-6-methylpyrimidine-2-thiol is C6H6F2N2S.
What is the molecular weight of 4-(Difluoromethyl)-6-methylpyrimidine-2-thiol?
The molecular weight of 4-(Difluoromethyl)-6-methylpyrimidine-2-thiol is 176.02 g/mol.
Where can I buy 4-(Difluoromethyl)-6-methylpyrimidine-2-thiol?
You can request a quote for 4-(Difluoromethyl)-6-methylpyrimidine-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-(Difluoromethyl)-6-methylpyrimidine-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(Difluoromethyl)-6-methylpyrimidine-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.