![4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione structure](/static/products/5617/5617-59-4.webp)
4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
TL;DR: 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione (CAS 5617-59-4) is a chemical compound with molecular formula C16H12N4O2S and molecular weight 324.07 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-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: BIM-0026130.P001, 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione, 4-{[(E)-1,3-benzodioxol-5-ylmethylidene]amino}-5-phenyl-4H-1,2,4-triazole-3-thiol, 4-[(1,3-benzodioxol-5-ylmethylene)amino]-5-phenyl-4H-1,2,4-triazole-3-thiol, 4-{(E)-[(2H-1,3-Benzodioxol-5-yl)methylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C16H12N4O2S |
|---|---|
| Molecular Weight | 324.07 g/mol |
| LogP | 3.21859 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.06808 |
| Heavy Atoms | 23 |
| Complexity | 930.75336 |
Chemical Identifiers
| CAS Number | 5617-59-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=N/N3C(=NNC3=S)C4=CC=CC=C4 |
Product Overview
4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione (CAS 5617-59-4), with molecular formula C16H12N4O2S and molecular weight 324.07 g/mol. IUPAC: 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
Property Insights of 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
The XLogP value of 3.21859 indicates that 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione 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 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione?
The CAS number of 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione is 5617-59-4.
What is the molecular formula of 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione is C16H12N4O2S.
What is the molecular weight of 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione is 324.07 g/mol.
Where can I buy 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-phenyl-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-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.