4-(4-Methoxyphenyl)-2-pyrimidinethiol
TL;DR: 4-(4-Methoxyphenyl)-2-pyrimidinethiol (CAS 175202-77-4) is a chemical compound with molecular formula C11H10N2OS and molecular weight 218.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-methoxyphenyl)-1H-pyrimidine-2-thione
Also Known As: 4-(4-methoxyphenyl)pyrimidine-2-thiol, 4-(4-methoxyphenyl)-2-pyrimidinethiol, Maybridge1_004759, 6-(4-methoxyphenyl)-1H-pyrimidine-2-thione, 2(1H)-Pyrimidinethione, 6-(4-methoxyphenyl)-
| Molecular Formula | C11H10N2OS |
|---|---|
| Molecular Weight | 218.05 g/mol |
| LogP | 2.81479 |
| Topological Polar Surface Area | 37.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.05139 |
| Heavy Atoms | 15 |
| Complexity | 504.4964 |
Chemical Identifiers
| CAS Number | 175202-77-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC=NC(=S)N2 |
Product Overview
4-(4-Methoxyphenyl)-2-pyrimidinethiol (CAS 175202-77-4), with molecular formula C11H10N2OS and molecular weight 218.05 g/mol. IUPAC: 6-(4-methoxyphenyl)-1H-pyrimidine-2-thione.
Chemical Property Profile of 4-(4-Methoxyphenyl)-2-pyrimidinethiol
Property Insights of 4-(4-Methoxyphenyl)-2-pyrimidinethiol
The XLogP value of 2.81479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methoxyphenyl)-2-pyrimidinethiol. With a topological polar surface area (TPSA) of 37.91 Ų, 4-(4-Methoxyphenyl)-2-pyrimidinethiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methoxyphenyl)-2-pyrimidinethiol 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-Methoxyphenyl)-2-pyrimidinethiol?
The CAS number of 4-(4-Methoxyphenyl)-2-pyrimidinethiol is 175202-77-4.
What is the molecular formula of 4-(4-Methoxyphenyl)-2-pyrimidinethiol?
The molecular formula of 4-(4-Methoxyphenyl)-2-pyrimidinethiol is C11H10N2OS.
What is the molecular weight of 4-(4-Methoxyphenyl)-2-pyrimidinethiol?
The molecular weight of 4-(4-Methoxyphenyl)-2-pyrimidinethiol is 218.05 g/mol.
Where can I buy 4-(4-Methoxyphenyl)-2-pyrimidinethiol?
You can request a quote for 4-(4-Methoxyphenyl)-2-pyrimidinethiol 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)-2-pyrimidinethiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methoxyphenyl)-2-pyrimidinethiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.