3H-Pyrazole-3-thione, 1,2-dihydro-1-methyl-
TL;DR: 3H-Pyrazole-3-thione, 1,2-dihydro-1-methyl- (CAS 79208-64-3) 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-5-thione
Also Known As: 2-methyl-1H-pyrazole-5-thione, 1-Methyl-3-mercaptopyrazole, starbld0027583, 3H-Pyrazole-3-thione, 1,2-dihydro-1-methyl-, 3-mercapto-1-methylpyrazol
| 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 | 79208-64-3 |
|---|---|
| SMILES | CN1C=CC(=S)N1 |
Product Overview
3H-Pyrazole-3-thione, 1,2-dihydro-1-methyl- (CAS 79208-64-3), with molecular formula C4H6N2S and molecular weight 114.03 g/mol. IUPAC: 2-methyl-1H-pyrazole-5-thione.
Chemical Property Profile of 3H-Pyrazole-3-thione, 1,2-dihydro-1-methyl-
Property Insights of 3H-Pyrazole-3-thione, 1,2-dihydro-1-methyl-
The XLogP value of 1.08269 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Pyrazole-3-thione, 1,2-dihydro-1-methyl-. With a topological polar surface area (TPSA) of 20.72 Ų, 3H-Pyrazole-3-thione, 1,2-dihydro-1-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Pyrazole-3-thione, 1,2-dihydro-1-methyl- 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 3H-Pyrazole-3-thione, 1,2-dihydro-1-methyl-?
The CAS number of 3H-Pyrazole-3-thione, 1,2-dihydro-1-methyl- is 79208-64-3.
What is the molecular formula of 3H-Pyrazole-3-thione, 1,2-dihydro-1-methyl-?
The molecular formula of 3H-Pyrazole-3-thione, 1,2-dihydro-1-methyl- is C4H6N2S.
What is the molecular weight of 3H-Pyrazole-3-thione, 1,2-dihydro-1-methyl-?
The molecular weight of 3H-Pyrazole-3-thione, 1,2-dihydro-1-methyl- is 114.03 g/mol.
Where can I buy 3H-Pyrazole-3-thione, 1,2-dihydro-1-methyl-?
You can request a quote for 3H-Pyrazole-3-thione, 1,2-dihydro-1-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Pyrazole-3-thione, 1,2-dihydro-1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 3H-Pyrazole-3-thione, 1,2-dihydro-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.