![5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol structure](/static/products/3031/303148-05-2.webp)
5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 303148-05-2) is a chemical compound with molecular formula C10H9ClF3N5S and molecular weight 323.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol, 5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol, 3-[[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]methyl]-4-methyl-1H-1,2,4-triazole-5-thione, 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridyl]amino]methyl]-4-methyl-1H-1,2,4-triazole-5-thione, 5-({[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol, 90%
| Molecular Formula | C10H9ClF3N5S |
|---|---|
| Molecular Weight | 323.02 g/mol |
| LogP | 3.15699 |
| Topological Polar Surface Area | 58.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.02194 |
| Heavy Atoms | 20 |
| Complexity | 678.26306 |
Chemical Identifiers
| CAS Number | 303148-05-2 |
|---|---|
| SMILES | CN1C(=NNC1=S)CNC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol (CAS 303148-05-2), with molecular formula C10H9ClF3N5S and molecular weight 323.02 g/mol. IUPAC: 3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-4-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.15699 indicates that 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.53 Ų, 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol has 2 hydrogen bond donor(s) and 4 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 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol is 303148-05-2.
What is the molecular formula of 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol is C10H9ClF3N5S.
What is the molecular weight of 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol is 323.02 g/mol.
Where can I buy 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4-methyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.