TL;DR: Dithiobispropionimidate (CAS 108831-68-1) is a chemical compound with molecular formula C6H12N2O2S2 and molecular weight 208.03403 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(3-amino-3-oxopropyl)disulfanyl]propanamide
Also Known As: 3-[(3-Amino-3-oxopropyl)dithio]propanamide, Dithiobispropionimidate, Cargutocin, Propanamide, 3,3'-dithiobis-, dithiodipropionamide
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H12N2O2S2 |
| Molecular Weight | 208.03403 g/mol |
| XLogP | -1.4 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 208.03403 Da |
| Heavy Atoms | 12 |
| Complexity | 146.0 |
| SMILES | C(CSSCCC(=O)N)C(=O)N |
| InChIKey | GJXCLGKEGAGUQC-UHFFFAOYSA-N |
The XLogP value of -1.4 indicates that Dithiobispropionimidate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dithiobispropionimidate. Following Lipinski's Rule of Five, Dithiobispropionimidate has 2 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 Dithiobispropionimidate is 108831-68-1.
The molecular formula of Dithiobispropionimidate is C6H12N2O2S2.
The molecular weight of Dithiobispropionimidate is 208.03403 g/mol.
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