![4-[(2-thienylmethylene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol structure](/static/products/328/328023-00-3.png)
4-[(2-thienylmethylene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-[(2-thienylmethylene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol (CAS 328023-00-3) is a chemical compound with molecular formula C8H5F3N4S2 and molecular weight 277.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-thiophen-2-ylmethylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(2-thienylmethylene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-thiophen-2-ylmethylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione, AS-871/40886429, (E)-4-((thiophen-2-ylmethylene)amino)-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol, 4-{[(E)-2-thienylmethylidene]amino}-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C8H5F3N4S2 |
|---|---|
| Molecular Weight | 277.99 g/mol |
| LogP | 2.90319 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.99078 |
| Heavy Atoms | 17 |
| Complexity | 578.6774 |
Chemical Identifiers
| CAS Number | 328023-00-3 |
|---|---|
| SMILES | C1=CSC(=C1)/C=N/N2C(=NNC2=S)C(F)(F)F |
Product Overview
4-[(2-thienylmethylene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol (CAS 328023-00-3), with molecular formula C8H5F3N4S2 and molecular weight 277.99 g/mol. IUPAC: 4-[(E)-thiophen-2-ylmethylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(2-thienylmethylene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-[(2-thienylmethylene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.90319 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-thienylmethylene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol. With a topological polar surface area (TPSA) of 45.97 Ų, 4-[(2-thienylmethylene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(2-thienylmethylene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol has 1 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 4-[(2-thienylmethylene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-[(2-thienylmethylene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol is 328023-00-3.
What is the molecular formula of 4-[(2-thienylmethylene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-[(2-thienylmethylene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol is C8H5F3N4S2.
What is the molecular weight of 4-[(2-thienylmethylene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-[(2-thienylmethylene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol is 277.99 g/mol.
Where can I buy 4-[(2-thienylmethylene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-[(2-thienylmethylene)amino]-5-(trifluoromethyl)-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 4-[(2-thienylmethylene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-thienylmethylene)amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.