TL;DR: Homocysteine thiolactone, DL- (CAS 10593-85-8) is a chemical compound with molecular formula C4H7NOS and molecular weight 117.02483 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-aminothiolan-2-one
Also Known As: DL-Homocysteine thiolactone, Homocysteine thiolactone, 3-aminothiolan-2-one, Hcy-thiolactone, 3-AMINODIHYDROTHIOPHEN-2-ONE
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C4H7NOS |
| Molecular Weight | 117.02483 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 117.02483 Da |
| Heavy Atoms | 7 |
| Complexity | 93.0 |
| SMILES | C1CSC(=O)C1N |
| InChIKey | KIWQWJKWBHZMDT-UHFFFAOYSA-N |
The XLogP value of -0.1 indicates that Homocysteine thiolactone, DL- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Homocysteine thiolactone, DL-. Following Lipinski's Rule of Five, Homocysteine thiolactone, DL- has 1 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 Homocysteine thiolactone, DL- is 10593-85-8.
The molecular formula of Homocysteine thiolactone, DL- is C4H7NOS.
The molecular weight of Homocysteine thiolactone, DL- is 117.02483 g/mol.
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