4-((4-(Diethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((4-(Diethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol (CAS 677753-70-7) is a chemical compound with molecular formula C19H20FN5S and molecular weight 369.14 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-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-((4-(DIETHYLAMINO)BENZYLIDENE)AMINO)-5-(4-F-PH)-4H-1,2,4-TRIAZOLE-3-THIOL, (E)-4-((4-(diethylamino)benzylidene)amino)-5-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol, 4-((4-(Diethylamino)benzylidene)amino)-3-(4-fluorophenyl)-1H-1,2,4-triazole-5(4H)-thione, 4-({(E)-[4-(diethylamino)phenyl]methylidene}amino)-5-(4-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C19H20FN5S |
|---|---|
| Molecular Weight | 369.14 g/mol |
| LogP | 4.47519 |
| Topological Polar Surface Area | 49.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.14233 |
| Heavy Atoms | 26 |
| Complexity | 937.31085 |
Chemical Identifiers
| CAS Number | 677753-70-7 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)F |
Product Overview
4-((4-(Diethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol (CAS 677753-70-7), with molecular formula C19H20FN5S and molecular weight 369.14 g/mol. IUPAC: 4-[(E)-[4-(diethylamino)phenyl]methylideneamino]-3-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((4-(Diethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((4-(Diethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.47519 indicates that 4-((4-(Diethylamino)benzylidene)amino)-5-(4-F-PH)-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-((4-(Diethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((4-(Diethylamino)benzylidene)amino)-5-(4-F-PH)-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-((4-(Diethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((4-(Diethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol is 677753-70-7.
What is the molecular formula of 4-((4-(Diethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((4-(Diethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol is C19H20FN5S.
What is the molecular weight of 4-((4-(Diethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((4-(Diethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol is 369.14 g/mol.
Where can I buy 4-((4-(Diethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((4-(Diethylamino)benzylidene)amino)-5-(4-F-PH)-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-((4-(Diethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-(Diethylamino)benzylidene)amino)-5-(4-F-PH)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.