C8H8F3N5S
TL;DR: C8H8F3N5S (CAS 1001567-71-0) is a chemical compound with molecular formula C8H8F3N5S and molecular weight 263.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-Methyl-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol, 4-Methyl-5-(2-methyl-5-trifluoromethyl-2H-pyrazol-3-yl)-4H-[1,2,4]triazole-3-thiol, 4-methyl-3-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-1H-1,2,4-triazole-5-thione, 4-methyl-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-4H-1,2,4-triazole-3-thiol, 4-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1,2,4-triazole-3-thiol
| Molecular Formula | C8H8F3N5S |
|---|---|
| Molecular Weight | 263.05 g/mol |
| LogP | 1.89699 |
| Topological Polar Surface Area | 51.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 263.04526 |
| Heavy Atoms | 17 |
| Complexity | 605.43976 |
Chemical Identifiers
| CAS Number | 1001567-71-0 |
|---|---|
| SMILES | CN1C(=CC(=N1)C(F)(F)F)C2=NNC(=S)N2C |
Product Overview
C8H8F3N5S (CAS 1001567-71-0), with molecular formula C8H8F3N5S and molecular weight 263.05 g/mol. IUPAC: 4-methyl-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of C8H8F3N5S
Property Insights of C8H8F3N5S
The XLogP value of 1.89699 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C8H8F3N5S. With a topological polar surface area (TPSA) of 51.43 Ų, C8H8F3N5S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C8H8F3N5S 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 C8H8F3N5S?
The CAS number of C8H8F3N5S is 1001567-71-0.
What is the molecular formula of C8H8F3N5S?
The molecular formula of C8H8F3N5S is C8H8F3N5S.
What is the molecular weight of C8H8F3N5S?
The molecular weight of C8H8F3N5S is 263.05 g/mol.
Where can I buy C8H8F3N5S?
You can request a quote for C8H8F3N5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C8H8F3N5S?
Yes, KEHONG BIO provides custom synthesis services for C8H8F3N5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.