TL;DR: Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-ethyl ester (CAS 105770-00-1) is a chemical compound with molecular formula C8H8O3S2 and molecular weight 215.99149 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
O-ethyl furan-2-carbonylsulfanylmethanethioate
Also Known As: O-ethyl furan-2-carbonylsulfanylmethanethioate, O-ethylfuran-2-carbonylsulfanylmethanethioate, Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-ethyl ester, O-Ethyl S-(furan-2-carbonyl) carbonodithioate, 2-Furancarbothioic acid, anhydrosulfide with O-ethyl hydrogen carbonodithioate
| Molecular Formula | C8H8O3S2 |
| Molecular Weight | 215.99149 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 96.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 215.99149 Da |
| Heavy Atoms | 13 |
| Complexity | 206.0 |
| SMILES | CCOC(=S)SC(=O)C1=CC=CO1 |
| InChIKey | MGEZTQPUDXHPFB-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-ethyl ester. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-ethyl ester. Following Lipinski's Rule of Five, Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-ethyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-ethyl ester is 105770-00-1.
The molecular formula of Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-ethyl ester is C8H8O3S2.
The molecular weight of Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-ethyl ester is 215.99149 g/mol.
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