Thiopyrine
TL;DR: Thiopyrine (CAS 5702-69-2) is a chemical compound with molecular formula C11H12N2S and molecular weight 204.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-2-phenylpyrazole-3-thione
Also Known As: Thiopyrine, Thiopyrin, 1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazole-3-thione, 1,5-dimethyl-2-phenylpyrazole-3-thione, 1,5-Dimethyl-2-phenyl-1H-pyrazole-3(2H)-thione
| Molecular Formula | C11H12N2S |
|---|---|
| Molecular Weight | 204.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 38.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.07211 |
| Heavy Atoms | 14 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 5702-69-2 |
|---|---|
| SMILES | CC1=CC(=S)N(N1C)C2=CC=CC=C2 |
| InChIKey | BKHQZVDOSQVERW-UHFFFAOYSA-N |
Product Overview
Thiopyrine (CAS 5702-69-2), with molecular formula C11H12N2S and molecular weight 204.07 g/mol. IUPAC: 1,5-dimethyl-2-phenylpyrazole-3-thione.
Chemical Property Profile of Thiopyrine
Property Insights of Thiopyrine
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiopyrine. With a topological polar surface area (TPSA) of 38.6 Ų, Thiopyrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiopyrine has 0 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 Thiopyrine?
The CAS number of Thiopyrine is 5702-69-2.
What is the molecular formula of Thiopyrine?
The molecular formula of Thiopyrine is C11H12N2S.
What is the molecular weight of Thiopyrine?
The molecular weight of Thiopyrine is 204.07 g/mol.
Where can I buy Thiopyrine?
You can request a quote for Thiopyrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiopyrine?
Yes, KEHONG BIO provides custom synthesis services for Thiopyrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.