![5-phenyl-4-{[(E)-phenylmethylidene]amino}-4H-1,2,4-triazole-3-thiol structure](/static/products/119/1198308-24-5.webp)
5-phenyl-4-{[(E)-phenylmethylidene]amino}-4H-1,2,4-triazole-3-thiol
TL;DR: 5-phenyl-4-{[(E)-phenylmethylidene]amino}-4H-1,2,4-triazole-3-thiol (CAS 1198308-24-5) is a chemical compound with molecular formula C15H12N4S and molecular weight 280.07828 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(E)-benzylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: J1.482.205D, AI-298/32906021, 5-phenyl-4-{[(E)-phenylmethylidene]amino}-4H-1,2,4-triazole-3-thiol, (e)-4-(benzylideneamino)-5-phenyl-4h-1,2,4-triazole-3-thiol, 4-(Benzylideneamino)-3-phenyl-4H-1,2,4-triazole-5-thiol
Technical Specifications
| Molecular Formula | C15H12N4S |
| Molecular Weight | 280.07828 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.07828 Da |
| Heavy Atoms | 20 |
| Complexity | 406.0 |
| SMILES | C1=CC=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3 |
| InChIKey | DFCISOWMWAKUDC-LFIBNONCSA-N |
Chemical Property Profile of 5-phenyl-4-{[(E)-phenylmethylidene]amino}-4H-1,2,4-triazole-3-thiol
Property Insights of 5-phenyl-4-{[(E)-phenylmethylidene]amino}-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.3 indicates that 5-phenyl-4-{[(E)-phenylmethylidene]amino}-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-phenyl-4-{[(E)-phenylmethylidene]amino}-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-phenyl-4-{[(E)-phenylmethylidene]amino}-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-phenyl-4-{[(E)-phenylmethylidene]amino}-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-phenyl-4-{[(E)-phenylmethylidene]amino}-4H-1,2,4-triazole-3-thiol is 1198308-24-5.
What is the molecular formula of 5-phenyl-4-{[(E)-phenylmethylidene]amino}-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-phenyl-4-{[(E)-phenylmethylidene]amino}-4H-1,2,4-triazole-3-thiol is C15H12N4S.
What is the molecular weight of 5-phenyl-4-{[(E)-phenylmethylidene]amino}-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-phenyl-4-{[(E)-phenylmethylidene]amino}-4H-1,2,4-triazole-3-thiol is 280.07828 g/mol.
Where can I buy 5-phenyl-4-{[(E)-phenylmethylidene]amino}-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-phenyl-4-{[(E)-phenylmethylidene]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 5-phenyl-4-{[(E)-phenylmethylidene]amino}-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 5-phenyl-4-{[(E)-phenylmethylidene]amino}-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.