TL;DR: Bis(2-mercaptoethyl) 3,3'-thiodipropionate (CAS 67874-44-6) is a chemical compound with molecular formula C10H18O4S3 and molecular weight 298.0367 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-sulfanylethyl 3-[3-oxo-3-(2-sulfanylethoxy)propyl]sulfanylpropanoate
Also Known As: bis 3,3'-thiobispropionate, bis(2-sulfanylethyl) 3,3'-sulfanediyldipropanoate, Bis(2-mercaptoethyl) 3,3'-thiodipropionate, Bis(2-mercaptoethyl) 3,3'-thiobispropionate, Bis(2-mercaptoethyl ester) 3,3'-thiodipropionic acid
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H18O4S3 |
| Molecular Weight | 298.0367 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 79.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 298.0367 Da |
| Heavy Atoms | 17 |
| Complexity | 202.0 |
| SMILES | C(CSCCC(=O)OCCS)C(=O)OCCS |
| InChIKey | FZSIEPOWYMJQCT-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(2-mercaptoethyl) 3,3'-thiodipropionate. The TPSA of 79.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(2-mercaptoethyl) 3,3'-thiodipropionate. Following Lipinski's Rule of Five, Bis(2-mercaptoethyl) 3,3'-thiodipropionate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Bis(2-mercaptoethyl) 3,3'-thiodipropionate is 67874-44-6.
The molecular formula of Bis(2-mercaptoethyl) 3,3'-thiodipropionate is C10H18O4S3.
The molecular weight of Bis(2-mercaptoethyl) 3,3'-thiodipropionate is 298.0367 g/mol.
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