![4-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-phenyl-4H-1,2,4-triazole-3-thiol structure](/static/products/487/487022-89-9.png)
4-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-phenyl-4H-1,2,4-triazole-3-thiol
TL;DR: 4-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS 487022-89-9) is a chemical compound with molecular formula C19H21N5S and molecular weight 351.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-phenyl-4H-1,2,4-triazole-3-thiol, (E)-4-((4-(diethylamino)benzylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol, 4-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione, 4-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-[(E)-{[4-(DIETHYLAMINO)PHENYL]METHYLIDENE}AMINO]-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL
| Molecular Formula | C19H21N5S |
|---|---|
| Molecular Weight | 351.15 g/mol |
| LogP | 4.33609 |
| Topological Polar Surface Area | 49.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.15176 |
| Heavy Atoms | 25 |
| Complexity | 889.5688 |
Chemical Identifiers
| CAS Number | 487022-89-9 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3 |
Product Overview
4-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS 487022-89-9), with molecular formula C19H21N5S and molecular weight 351.15 g/mol. IUPAC: 4-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-phenyl-4H-1,2,4-triazole-3-thiol
Property Insights of 4-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-phenyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.33609 indicates that 4-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-phenyl-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 49.21 Ų, 4-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-phenyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-phenyl-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-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-phenyl-4H-1,2,4-triazole-3-thiol is 487022-89-9.
What is the molecular formula of 4-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-phenyl-4H-1,2,4-triazole-3-thiol is C19H21N5S.
What is the molecular weight of 4-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-phenyl-4H-1,2,4-triazole-3-thiol is 351.15 g/mol.
Where can I buy 4-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-phenyl-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-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-phenyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.