TL;DR: Thiocure petma (CAS 10193-99-4) is a chemical compound with molecular formula C13H20O8S4 and molecular weight 432.0041 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(2-sulfanylacetyl)oxy-2,2-bis[(2-sulfanylacetyl)oxymethyl]propyl] 2-sulfanylacetate
Also Known As: Thiocure petma, Pentaerythritol tetrakis(2-mercaptoacetate), Pentaerythritol tetrathioglycolate, PETG, Pentaerythritol tetrakis(mercaptoacetate)
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H20O8S4 |
| Molecular Weight | 432.0041 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 16 |
| Exact Mass | 432.0041 Da |
| Heavy Atoms | 25 |
| Complexity | 385.0 |
| SMILES | C(C(=O)OCC(COC(=O)CS)(COC(=O)CS)COC(=O)CS)S |
| InChIKey | RUDUCNPHDIMQCY-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiocure petma. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiocure petma. Following Lipinski's Rule of Five, Thiocure petma has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Thiocure petma is 10193-99-4.
The molecular formula of Thiocure petma is C13H20O8S4.
The molecular weight of Thiocure petma is 432.0041 g/mol.
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