2-methyl-4-(3-methyl-4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazole-3-thione
TL;DR: 2-methyl-4-(3-methyl-4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazole-3-thione (CAS 1022692-91-6) is a chemical compound with molecular formula C14H16F3N3S and molecular weight 315.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-(3-methyl-4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazole-3-thione
Also Known As: 2-methyl-4-(3-methyl-4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazole-3-thione, 4-(4-isopropyl-3-methylphenyl)-2-methyl-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 1-methyl-4-[3-methyl-4-(propan-2-yl)phenyl]-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione, 1-METHYL-4-(3-METHYL-4-(ISOPROPYL)PHENYL)-3-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLINE-5-THIONE, 2-methyl-4-(3-methyl-4-propan-2-yl-phenyl)-5-(trifluoromethyl)-1,2,4-triazole-3-thione
| Molecular Formula | C14H16F3N3S |
|---|---|
| Molecular Weight | 315.10 g/mol |
| LogP | 4.39091 |
| Topological Polar Surface Area | 22.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.1017 |
| Heavy Atoms | 21 |
| Complexity | 726.0411 |
Chemical Identifiers
| CAS Number | 1022692-91-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N2C(=NN(C2=S)C)C(F)(F)F)C(C)C |
Product Overview
2-methyl-4-(3-methyl-4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazole-3-thione (CAS 1022692-91-6), with molecular formula C14H16F3N3S and molecular weight 315.10 g/mol. IUPAC: 2-methyl-4-(3-methyl-4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazole-3-thione.
Chemical Property Profile of 2-methyl-4-(3-methyl-4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazole-3-thione
Property Insights of 2-methyl-4-(3-methyl-4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazole-3-thione
The XLogP value of 4.39091 indicates that 2-methyl-4-(3-methyl-4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.75 Ų, 2-methyl-4-(3-methyl-4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-4-(3-methyl-4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazole-3-thione 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 2-methyl-4-(3-methyl-4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazole-3-thione?
The CAS number of 2-methyl-4-(3-methyl-4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazole-3-thione is 1022692-91-6.
What is the molecular formula of 2-methyl-4-(3-methyl-4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazole-3-thione?
The molecular formula of 2-methyl-4-(3-methyl-4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazole-3-thione is C14H16F3N3S.
What is the molecular weight of 2-methyl-4-(3-methyl-4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazole-3-thione?
The molecular weight of 2-methyl-4-(3-methyl-4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazole-3-thione is 315.10 g/mol.
Where can I buy 2-methyl-4-(3-methyl-4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazole-3-thione?
You can request a quote for 2-methyl-4-(3-methyl-4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-4-(3-methyl-4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-4-(3-methyl-4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.