TL;DR: Sulfuric acid, monobutyl ester (CAS 15507-13-8) is a chemical compound with molecular formula C4H10O4S and molecular weight 154.02998 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl hydrogen sulfate
Also Known As: butyl hydrogen sulfate, n-butyl sulfate, butyl sulfate, butylsulfate, Butyl sulfuric acid
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C4H10O4S |
| Molecular Weight | 154.02998 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 154.02998 Da |
| Heavy Atoms | 9 |
| Complexity | 142.0 |
| SMILES | CCCCOS(=O)(=O)O |
| InChIKey | ZTHQBROSBNNGPU-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sulfuric acid, monobutyl ester. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulfuric acid, monobutyl ester. Following Lipinski's Rule of Five, Sulfuric acid, monobutyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Sulfuric acid, monobutyl ester is 15507-13-8.
The molecular formula of Sulfuric acid, monobutyl ester is C4H10O4S.
The molecular weight of Sulfuric acid, monobutyl ester is 154.02998 g/mol.
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