TL;DR: 3,3'-Dithiodipropionic acid (CAS 1119-62-6) is a chemical compound with molecular formula C6H10O4S2 and molecular weight 210.00204 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2-carboxyethyldisulfanyl)propanoic acid
Also Known As: 3,3'-Dithiodipropionic acid, Dithiodipropionic acid, 3,3-Dithiodipropionic acid, Fluorescamine, Propanoic acid, 3,3'-dithiobis-
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H10O4S2 |
| Molecular Weight | 210.00204 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 210.00204 Da |
| Heavy Atoms | 12 |
| Complexity | 142.0 |
| SMILES | C(CSSCCC(=O)O)C(=O)O |
| InChIKey | YCLSOMLVSHPPFV-UHFFFAOYSA-N |
The XLogP value of -0.1 indicates that 3,3'-Dithiodipropionic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-Dithiodipropionic acid. Following Lipinski's Rule of Five, 3,3'-Dithiodipropionic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3,3'-Dithiodipropionic acid is 1119-62-6.
The molecular formula of 3,3'-Dithiodipropionic acid is C6H10O4S2.
The molecular weight of 3,3'-Dithiodipropionic acid is 210.00204 g/mol.
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