TL;DR: Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-butyl ester (CAS 105770-03-4) is a chemical compound with molecular formula C10H12O3S2 and molecular weight 244.02278 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
O-butyl furan-2-carbonylsulfanylmethanethioate
Also Known As: Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-butyl ester, O-butyl furan-2-carbonylsulfanylmethanethioate, O-Butyl S-(furan-2-carbonyl) carbonodithioate, 2-Furancarbothioic acid, anhydrosulfide with O-butyl hydrogen carbonodithioate
| Molecular Formula | C10H12O3S2 |
| Molecular Weight | 244.02278 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 96.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 244.02278 Da |
| Heavy Atoms | 15 |
| Complexity | 231.0 |
| SMILES | CCCCOC(=S)SC(=O)C1=CC=CO1 |
| InChIKey | ZNUDEYBHUQJHCK-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. 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-butyl ester. Following Lipinski's Rule of Five, Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-butyl 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-butyl ester is 105770-03-4.
The molecular formula of Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-butyl ester is C10H12O3S2.
The molecular weight of Carbonic acid, dithio-, anhydrosulfide with thio-2-furoic acid, O-butyl ester is 244.02278 g/mol.
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