TL;DR: 2-Methoxycarbonylthiophene-3-diazonium hexafluorophosphate (CAS 100421-51-0) is a chemical compound with molecular formula C6H5F6N2O2PS and molecular weight 313.97134 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methoxycarbonylthiophene-3-diazonium hexafluorophosphate
Also Known As: 2-methoxycarbonylthiophene-3-diazonium hexafluorophosphate, 2-methoxycarbonylthiophene-3-diazonium;hexafluorophosphate, 2-(methoxycarbonyl)thiophene-3-diazonium hexafluorophosphate, 2-(methoxycarbonyl)thiophene-3-diazonium; hexafluoro-$l^{5}-phosphanuide
| Molecular Formula | C6H5F6N2O2PS |
| Molecular Weight | 313.97134 g/mol |
| XLogP | 5.40168 |
| Topological Polar Surface Area (TPSA) | 82.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.97134 Da |
| Heavy Atoms | 18 |
| Complexity | 273.0 |
| SMILES | COC(=O)C1=C(C=CS1)[N+]#N.F[P-](F)(F)(F)(F)F |
| InChIKey | KJOOPLGBMKUTLI-UHFFFAOYSA-N |
The XLogP value of 5.40168 indicates that 2-Methoxycarbonylthiophene-3-diazonium hexafluorophosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methoxycarbonylthiophene-3-diazonium hexafluorophosphate. Following Lipinski's Rule of Five, 2-Methoxycarbonylthiophene-3-diazonium hexafluorophosphate has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-Methoxycarbonylthiophene-3-diazonium hexafluorophosphate is 100421-51-0.
The molecular formula of 2-Methoxycarbonylthiophene-3-diazonium hexafluorophosphate is C6H5F6N2O2PS.
The molecular weight of 2-Methoxycarbonylthiophene-3-diazonium hexafluorophosphate is 313.97134 g/mol.
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