TL;DR: Sodium [5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanide (CAS 1300732-78-8) is a chemical compound with molecular formula C10H9ClN3NaS and molecular weight 261.01035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
sodium 5-(4-chlorophenyl)-4-ethyl-1,2,4-triazole-3-thiolate
Also Known As: sodium 5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazole-3-thiolate, sodium [5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanide, sodium [5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanide, sodium;5-(4-chlorophenyl)-4-ethyl-1,2,4-triazole-3-thiolate, F8889-9338
| Molecular Formula | C10H9ClN3NaS |
| Molecular Weight | 261.01035 g/mol |
| XLogP | -0.4718 |
| Topological Polar Surface Area (TPSA) | 31.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.01035 Da |
| Heavy Atoms | 16 |
| Complexity | 214.0 |
| SMILES | CCN1C(=NN=C1[S-])C2=CC=C(C=C2)Cl.[Na+] |
| InChIKey | DBBYFZQIOVVWAL-UHFFFAOYSA-M |
The XLogP value of -0.4718 indicates that Sodium [5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 31.7 Ų, Sodium [5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sodium [5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Sodium [5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanide is 1300732-78-8.
The molecular formula of Sodium [5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanide is C10H9ClN3NaS.
The molecular weight of Sodium [5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanide is 261.01035 g/mol.
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