2-(3,5-Dimethylpyrazolyl)-6-methylpyrimidine-4-thiol
TL;DR: 2-(3,5-Dimethylpyrazolyl)-6-methylpyrimidine-4-thiol (CAS 71874-77-6) is a chemical compound with molecular formula C10H12N4S and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-dimethylpyrazol-1-yl)-6-methyl-1H-pyrimidine-4-thione
Also Known As: 2-(3,5-dimethylpyrazolyl)-6-methylpyrimidine-4-thiol, 2-(3,5-dimethylpyrazol-1-yl)-6-methyl-1H-pyrimidine-4-thione, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidine-4-thiol
| Molecular Formula | C10H12N4S |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 2.25015 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.07826 |
| Heavy Atoms | 15 |
| Complexity | 552.7903 |
Chemical Identifiers
| CAS Number | 71874-77-6 |
|---|---|
| SMILES | CC1=CC(=S)N=C(N1)N2C(=CC(=N2)C)C |
Product Overview
2-(3,5-Dimethylpyrazolyl)-6-methylpyrimidine-4-thiol (CAS 71874-77-6), with molecular formula C10H12N4S and molecular weight 220.08 g/mol. IUPAC: 2-(3,5-dimethylpyrazol-1-yl)-6-methyl-1H-pyrimidine-4-thione.
Chemical Property Profile of 2-(3,5-Dimethylpyrazolyl)-6-methylpyrimidine-4-thiol
Property Insights of 2-(3,5-Dimethylpyrazolyl)-6-methylpyrimidine-4-thiol
The XLogP value of 2.25015 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,5-Dimethylpyrazolyl)-6-methylpyrimidine-4-thiol. With a topological polar surface area (TPSA) of 46.5 Ų, 2-(3,5-Dimethylpyrazolyl)-6-methylpyrimidine-4-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,5-Dimethylpyrazolyl)-6-methylpyrimidine-4-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 2-(3,5-Dimethylpyrazolyl)-6-methylpyrimidine-4-thiol?
The CAS number of 2-(3,5-Dimethylpyrazolyl)-6-methylpyrimidine-4-thiol is 71874-77-6.
What is the molecular formula of 2-(3,5-Dimethylpyrazolyl)-6-methylpyrimidine-4-thiol?
The molecular formula of 2-(3,5-Dimethylpyrazolyl)-6-methylpyrimidine-4-thiol is C10H12N4S.
What is the molecular weight of 2-(3,5-Dimethylpyrazolyl)-6-methylpyrimidine-4-thiol?
The molecular weight of 2-(3,5-Dimethylpyrazolyl)-6-methylpyrimidine-4-thiol is 220.08 g/mol.
Where can I buy 2-(3,5-Dimethylpyrazolyl)-6-methylpyrimidine-4-thiol?
You can request a quote for 2-(3,5-Dimethylpyrazolyl)-6-methylpyrimidine-4-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-Dimethylpyrazolyl)-6-methylpyrimidine-4-thiol?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-Dimethylpyrazolyl)-6-methylpyrimidine-4-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.