TL;DR: 2,6-Di(tert-butyl)-4-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenol (CAS 130116-26-6) is a chemical compound with molecular formula C17H24N2OS2 and molecular weight 336.133 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-ditert-butyl-4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)phenol
Also Known As: 2,6-di(tert-butyl)-4-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenol, 6P-511S, 2,6-di-tert-butyl-4-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]phenol, 2,6-ditert-butyl-4-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)phenol, 2,6-Di-tert-butyl-4-(5-methylsulfanyl-[1,3,4]thiadiazol-2-yl)-phenol
| Molecular Formula | C17H24N2OS2 |
| Molecular Weight | 336.133 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 99.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.133 Da |
| Heavy Atoms | 22 |
| Complexity | 354.0 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=NN=C(S2)SC |
| InChIKey | CWBUUUHKRWGIGX-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that 2,6-Di(tert-butyl)-4-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Di(tert-butyl)-4-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenol. Following Lipinski's Rule of Five, 2,6-Di(tert-butyl)-4-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,6-Di(tert-butyl)-4-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenol is 130116-26-6.
The molecular formula of 2,6-Di(tert-butyl)-4-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenol is C17H24N2OS2.
The molecular weight of 2,6-Di(tert-butyl)-4-[5-(methylsulfanyl)-1,3,4-thiadiazol-2-yl]benzenol is 336.133 g/mol.
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