TL;DR: Carbonothioic acid, anhydrosulfide with thiohypochlorous acid, O-ethyl ester (CAS 26555-35-1) is a chemical compound with molecular formula C3H5ClO2S and molecular weight 139.96988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl chlorosulfanylformate
Also Known As: Carboethoxysulfenyl chloride, ethyl chlorosulfanylformate, Ethoxycarbonylsulfenyl chloride, Ethyl (chlorosulfenyl)formate, ethane,[[(chlorothio)carbonyl]oxy]-
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C3H5ClO2S |
| Molecular Weight | 139.96988 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 139.96988 Da |
| Heavy Atoms | 7 |
| Complexity | 66.0 |
| SMILES | CCOC(=O)SCl |
| InChIKey | MDDRQVPVBIQMQV-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonothioic acid, anhydrosulfide with thiohypochlorous acid, O-ethyl ester. With a topological polar surface area (TPSA) of 51.6 Ų, Carbonothioic acid, anhydrosulfide with thiohypochlorous acid, O-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonothioic acid, anhydrosulfide with thiohypochlorous acid, O-ethyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Carbonothioic acid, anhydrosulfide with thiohypochlorous acid, O-ethyl ester is 26555-35-1.
The molecular formula of Carbonothioic acid, anhydrosulfide with thiohypochlorous acid, O-ethyl ester is C3H5ClO2S.
The molecular weight of Carbonothioic acid, anhydrosulfide with thiohypochlorous acid, O-ethyl ester is 139.96988 g/mol.
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