sodium 5-(1H-indol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiolate
TL;DR: sodium 5-(1H-indol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiolate (CAS 1007016-46-7) is a chemical compound with molecular formula C16H11N4NaS and molecular weight 314.0602 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
sodium 5-(1H-indol-3-yl)-4-phenyl-1,2,4-triazole-3-thiolate
Also Known As: Sodium [5-(1H-indol-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanide, sodium 5-(1H-indol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiolate, 3-[4-phenyl-5-(sodiosulfanyl)-4H-1,2,4-triazol-3-yl]-1H-indole, Sodium 5-indol-3-ylidene-4-phenyl-1H-1,2,4-triazole-3-thiolate, sodium;5-(1H-indol-3-yl)-4-phenyl-1,2,4-triazole-3-thiolate
Technical Specifications
| Molecular Formula | C16H11N4NaS |
| Molecular Weight | 314.0602 g/mol |
| XLogP | 0.3254 |
| Topological Polar Surface Area (TPSA) | 47.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.0602 Da |
| Heavy Atoms | 22 |
| Complexity | 366.0 |
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2[S-])C3=CNC4=CC=CC=C43.[Na+] |
| InChIKey | VDWHDSIWBPIONQ-UHFFFAOYSA-M |
Chemical Property Profile of sodium 5-(1H-indol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiolate
Property Insights of sodium 5-(1H-indol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiolate
The XLogP value of 0.3254 suggests moderate lipophilicity, balancing water solubility and membrane permeability for sodium 5-(1H-indol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiolate. With a topological polar surface area (TPSA) of 47.5 Ų, sodium 5-(1H-indol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, sodium 5-(1H-indol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiolate 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 sodium 5-(1H-indol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiolate?
The CAS number of sodium 5-(1H-indol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiolate is 1007016-46-7.
What is the molecular formula of sodium 5-(1H-indol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiolate?
The molecular formula of sodium 5-(1H-indol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiolate is C16H11N4NaS.
What is the molecular weight of sodium 5-(1H-indol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiolate?
The molecular weight of sodium 5-(1H-indol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiolate is 314.0602 g/mol.
Where can I buy sodium 5-(1H-indol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiolate?
You can request a quote for sodium 5-(1H-indol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiolate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for sodium 5-(1H-indol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiolate?
Yes, CoreyChem provides custom synthesis services for sodium 5-(1H-indol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.