5-(Phenoxymethyl)-4-((3-phenyl-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(Phenoxymethyl)-4-((3-phenyl-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 489402-62-2) is a chemical compound with molecular formula C18H16N4OS and molecular weight 336.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(phenoxymethyl)-4-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
Also Known As: 4-((1E,3E)-4-phenyl-1-azabuta-1,3-dienyl)-5-(phenoxymethyl)-1,2,4-triazole-3-t hiol, 5-(PHENOXYMETHYL)-4-((3-PHENYL-2-PROPENYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL, 5-(phenoxymethyl)-4-((E)-((E)-3-phenylallylidene)amino)-4H-1,2,4-triazole-3-thiol, 5-Phenoxymethyl-4-[(E)-3-phenyl-prop-2-en-(E)-ylideneamino]-4H-[1,2,4]triazole-3-thiol, 3-(phenoxymethyl)-4-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
| Molecular Formula | C18H16N4OS |
|---|---|
| Molecular Weight | 336.10 g/mol |
| LogP | 4.06699 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.1045 |
| Heavy Atoms | 24 |
| Complexity | 882.142 |
Chemical Identifiers
| CAS Number | 489402-62-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/C=N/N2C(=NNC2=S)COC3=CC=CC=C3 |
Product Overview
5-(Phenoxymethyl)-4-((3-phenyl-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 489402-62-2), with molecular formula C18H16N4OS and molecular weight 336.10 g/mol. IUPAC: 3-(phenoxymethyl)-4-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(Phenoxymethyl)-4-((3-phenyl-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(Phenoxymethyl)-4-((3-phenyl-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.06699 indicates that 5-(Phenoxymethyl)-4-((3-phenyl-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, 5-(Phenoxymethyl)-4-((3-phenyl-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Phenoxymethyl)-4-((3-phenyl-2-propenylidene)amino)-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 5-(Phenoxymethyl)-4-((3-phenyl-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(Phenoxymethyl)-4-((3-phenyl-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol is 489402-62-2.
What is the molecular formula of 5-(Phenoxymethyl)-4-((3-phenyl-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(Phenoxymethyl)-4-((3-phenyl-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol is C18H16N4OS.
What is the molecular weight of 5-(Phenoxymethyl)-4-((3-phenyl-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(Phenoxymethyl)-4-((3-phenyl-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol is 336.10 g/mol.
Where can I buy 5-(Phenoxymethyl)-4-((3-phenyl-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(Phenoxymethyl)-4-((3-phenyl-2-propenylidene)amino)-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 5-(Phenoxymethyl)-4-((3-phenyl-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(Phenoxymethyl)-4-((3-phenyl-2-propenylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.