![4-[(4-tert-butylphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione structure](/static/products/4960/496038-04-1.webp)
4-[(4-tert-butylphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
TL;DR: 4-[(4-tert-butylphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione (CAS 496038-04-1) is a chemical compound with molecular formula C14H15F3N4S and molecular weight 328.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-tert-butylphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(4-tert-butylphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione, 4-[(E)-[(4-TERT-BUTYLPHENYL)METHYLIDENE]AMINO]-5-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLE-3-THIOL
| Molecular Formula | C14H15F3N4S |
|---|---|
| Molecular Weight | 328.10 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.09695 |
| Heavy Atoms | 22 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 496038-04-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C=NN2C(=NNC2=S)C(F)(F)F |
| InChIKey | IRCRUCABXWQTJQ-UHFFFAOYSA-N |
Product Overview
4-[(4-tert-butylphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione (CAS 496038-04-1), with molecular formula C14H15F3N4S and molecular weight 328.10 g/mol. IUPAC: 4-[(4-tert-butylphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(4-tert-butylphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
Property Insights of 4-[(4-tert-butylphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
The XLogP value of 4.4 indicates that 4-[(4-tert-butylphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-tert-butylphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-[(4-tert-butylphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 6 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 4-[(4-tert-butylphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione?
The CAS number of 4-[(4-tert-butylphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione is 496038-04-1.
What is the molecular formula of 4-[(4-tert-butylphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-[(4-tert-butylphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione is C14H15F3N4S.
What is the molecular weight of 4-[(4-tert-butylphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-[(4-tert-butylphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione is 328.10 g/mol.
Where can I buy 4-[(4-tert-butylphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-[(4-tert-butylphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-tert-butylphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-tert-butylphenyl)methylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.