![(E)-4-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol structure](/static/products/326/326004-10-8.png)
(E)-4-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol (CAS 326004-10-8) is a chemical compound with molecular formula C11H7F3N4O2S and molecular weight 316.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol, 4-((1E)-2-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-1-azavinyl)-3-(trifluoromethyl)-1 ,2,4-triazoline-5-thione, 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-5-(trifluoromethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C11H7F3N4O2S |
|---|---|
| Molecular Weight | 316.02 g/mol |
| LogP | 2.57039 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.02417 |
| Heavy Atoms | 21 |
| Complexity | 765.5593 |
Chemical Identifiers
| CAS Number | 326004-10-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=N/N3C(=NNC3=S)C(F)(F)F |
Product Overview
(E)-4-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol (CAS 326004-10-8), with molecular formula C11H7F3N4O2S and molecular weight 316.02 g/mol. IUPAC: 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-4-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 2.57039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-4-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 5 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 (E)-4-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol is 326004-10-8.
What is the molecular formula of (E)-4-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol is C11H7F3N4O2S.
What is the molecular weight of (E)-4-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol is 316.02 g/mol.
Where can I buy (E)-4-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-((benzo[d][1,3]dioxol-5-ylmethylene)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 (E)-4-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((benzo[d][1,3]dioxol-5-ylmethylene)amino)-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.