4-(4-Methoxyphenyl)-6-methylpyrimidine-2-thiol
TL;DR: 4-(4-Methoxyphenyl)-6-methylpyrimidine-2-thiol (CAS 107072-30-0) is a chemical compound with molecular formula C12H12N2OS and molecular weight 232.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-6-methyl-1H-pyrimidine-2-thione
Also Known As: 4-(4-methoxyphenyl)-6-methylpyrimidine-2-thiol, 2-Mercapto-4-(methoxyphenyl)-6-methylpyrimidine, 4-(Methoxyphenyl)-6-methyl-2(1H)-pyrimidinethione, 2(1H)-Pyrimidinethione, 4-(methoxyphenyl)-6-methyl-, 4-(4-methoxyphenyl)-6-methyl-1H-pyrimidine-2-thione
| Molecular Formula | C12H12N2OS |
|---|---|
| Molecular Weight | 232.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 65.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.06703 |
| Heavy Atoms | 16 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 107072-30-0 |
|---|---|
| SMILES | CC1=CC(=NC(=S)N1)C2=CC=C(C=C2)OC |
| InChIKey | MVSRDCNZGBIDCH-UHFFFAOYSA-N |
Product Overview
4-(4-Methoxyphenyl)-6-methylpyrimidine-2-thiol (CAS 107072-30-0), with molecular formula C12H12N2OS and molecular weight 232.07 g/mol. IUPAC: 4-(4-methoxyphenyl)-6-methyl-1H-pyrimidine-2-thione.
Chemical Property Profile of 4-(4-Methoxyphenyl)-6-methylpyrimidine-2-thiol
Property Insights of 4-(4-Methoxyphenyl)-6-methylpyrimidine-2-thiol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methoxyphenyl)-6-methylpyrimidine-2-thiol. The TPSA of 65.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Methoxyphenyl)-6-methylpyrimidine-2-thiol. Following Lipinski's Rule of Five, 4-(4-Methoxyphenyl)-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-(4-Methoxyphenyl)-6-methylpyrimidine-2-thiol?
The CAS number of 4-(4-Methoxyphenyl)-6-methylpyrimidine-2-thiol is 107072-30-0.
What is the molecular formula of 4-(4-Methoxyphenyl)-6-methylpyrimidine-2-thiol?
The molecular formula of 4-(4-Methoxyphenyl)-6-methylpyrimidine-2-thiol is C12H12N2OS.
What is the molecular weight of 4-(4-Methoxyphenyl)-6-methylpyrimidine-2-thiol?
The molecular weight of 4-(4-Methoxyphenyl)-6-methylpyrimidine-2-thiol is 232.07 g/mol.
Where can I buy 4-(4-Methoxyphenyl)-6-methylpyrimidine-2-thiol?
You can request a quote for 4-(4-Methoxyphenyl)-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-(4-Methoxyphenyl)-6-methylpyrimidine-2-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methoxyphenyl)-6-methylpyrimidine-2-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.