1-Methyl-5-mercaptopyrazole
TL;DR: 1-Methyl-5-mercaptopyrazole (CAS 190711-06-9) is a chemical compound with molecular formula C4H6N2S and molecular weight 114.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1H-pyrazole-3-thione
Also Known As: 1-Methyl-5-mercaptopyrazole, 1-Methyl-1H-pyrazole-5-thiol, starbld0009856, 2-methyl-1H-pyrazole-3-thione, 1-Methyl-1H-pyrazole-5(2H)-thione
| Molecular Formula | C4H6N2S |
|---|---|
| Molecular Weight | 114.03 g/mol |
| LogP | 1.08269 |
| Topological Polar Surface Area | 20.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.02517 |
| Heavy Atoms | 7 |
| Complexity | 197.45476 |
Chemical Identifiers
| CAS Number | 190711-06-9 |
|---|---|
| SMILES | CN1C(=S)C=CN1 |
Product Overview
1-Methyl-5-mercaptopyrazole (CAS 190711-06-9), with molecular formula C4H6N2S and molecular weight 114.03 g/mol. IUPAC: 2-methyl-1H-pyrazole-3-thione.
Chemical Property Profile of 1-Methyl-5-mercaptopyrazole
Property Insights of 1-Methyl-5-mercaptopyrazole
The XLogP value of 1.08269 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-5-mercaptopyrazole. With a topological polar surface area (TPSA) of 20.72 Ų, 1-Methyl-5-mercaptopyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-5-mercaptopyrazole has 1 hydrogen bond donor(s) and 1 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 1-Methyl-5-mercaptopyrazole?
The CAS number of 1-Methyl-5-mercaptopyrazole is 190711-06-9.
What is the molecular formula of 1-Methyl-5-mercaptopyrazole?
The molecular formula of 1-Methyl-5-mercaptopyrazole is C4H6N2S.
What is the molecular weight of 1-Methyl-5-mercaptopyrazole?
The molecular weight of 1-Methyl-5-mercaptopyrazole is 114.03 g/mol.
Where can I buy 1-Methyl-5-mercaptopyrazole?
You can request a quote for 1-Methyl-5-mercaptopyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-5-mercaptopyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-5-mercaptopyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.