TL;DR: 4-Phenyl-5-(4-phenylthiadiazol-5-yl)sulfanyltriazol-1-amine (CAS 127045-26-5) is a chemical compound with molecular formula C16H12N6S2 and molecular weight 352.0565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-phenyl-5-(4-phenylthiadiazol-5-yl)sulfanyltriazol-1-amine
Also Known As: 4-phenyl-5-(4-phenylthiadiazol-5-yl)sulfanyltriazol-1-amine, 4-Phenyl-5-(4-phenyl-[1,2,3]thiadiazol-5-ylsulfanyl)-[1,2,3]triazol-1-ylamine, 4-phenyl-5-[(4-phenyl-1,2,3-thiadiazol-5-yl)sulfanyl]-1H-1,2,3-triazol-1-amine, 5-(1-amino-4-phenyl-1,2,3-triazol-5-yl)mercapto-4-phenyl-1,2,3-thiadiazole, 5-(1-Amino-4-phenyl-1H-1,2,3-triazol-5-ylthio)-4-phenyl-1,2,3-thiadiazole
| Molecular Formula | C16H12N6S2 |
| Molecular Weight | 352.0565 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.0565 Da |
| Heavy Atoms | 24 |
| Complexity | 402.0 |
| SMILES | C1=CC=C(C=C1)C2=C(N(N=N2)N)SC3=C(N=NS3)C4=CC=CC=C4 |
| InChIKey | SIPRUANZAGKBKU-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 4-Phenyl-5-(4-phenylthiadiazol-5-yl)sulfanyltriazol-1-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Phenyl-5-(4-phenylthiadiazol-5-yl)sulfanyltriazol-1-amine. Following Lipinski's Rule of Five, 4-Phenyl-5-(4-phenylthiadiazol-5-yl)sulfanyltriazol-1-amine has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Phenyl-5-(4-phenylthiadiazol-5-yl)sulfanyltriazol-1-amine is 127045-26-5.
The molecular formula of 4-Phenyl-5-(4-phenylthiadiazol-5-yl)sulfanyltriazol-1-amine is C16H12N6S2.
The molecular weight of 4-Phenyl-5-(4-phenylthiadiazol-5-yl)sulfanyltriazol-1-amine is 352.0565 g/mol.
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