(E)-5-(4-chlorophenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-5-(4-chlorophenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 1286170-16-8) is a chemical compound with molecular formula C17H16ClN5S and molecular weight 357.08148 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chlorophenyl)-4-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-(4-chlorophenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol, 3-(4-chlorophenyl)-4-[(E)-(4-dimethylaminophenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 5-(4-chlorophenyl)-4-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(4-chlorophenyl)-4-({(E)-[4-(dimethylamino)phenyl]methylidene}amino)-4H-1,2,4-triazol-3-yl hydrosulfide
Technical Specifications
| Molecular Formula | C17H16ClN5S |
| Molecular Weight | 357.08148 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 75.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.08148 Da |
| Heavy Atoms | 24 |
| Complexity | 505.0 |
| SMILES | CN(C)C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)Cl |
| InChIKey | MVOSBXFNGZBZLU-YBFXNURJSA-N |
Chemical Property Profile of (E)-5-(4-chlorophenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-5-(4-chlorophenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.0 indicates that (E)-5-(4-chlorophenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(4-chlorophenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-5-(4-chlorophenyl)-4-((4-(dimethylamino)benzylidene)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
What is the CAS number of (E)-5-(4-chlorophenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-5-(4-chlorophenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is 1286170-16-8.
What is the molecular formula of (E)-5-(4-chlorophenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-5-(4-chlorophenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is C17H16ClN5S.
What is the molecular weight of (E)-5-(4-chlorophenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-5-(4-chlorophenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is 357.08148 g/mol.
Where can I buy (E)-5-(4-chlorophenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-5-(4-chlorophenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-5-(4-chlorophenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for (E)-5-(4-chlorophenyl)-4-((4-(dimethylamino)benzylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.