TL;DR: 2-Propenamide, 2-cyano-3,3-dimercapto- (CAS 118373-67-4) is a chemical compound with molecular formula C4H4N2OS2 and molecular weight 159.9765 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-cyano-3,3-bis(sulfanyl)prop-2-enamide
Also Known As: 2-cyano-3,3-disulfanylprop-2-enamide, 2-Propenamide, 2-cyano-3,3-dimercapto-, 3,3-Dimercapto-2-cyanacrylamid, 2-Cyano-3,3-dimercaptoacrylamide, 2-cyano-3,3-bis(sulfanyl)prop-2-enamide
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C4H4N2OS2 |
| Molecular Weight | 159.9765 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 68.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.9765 Da |
| Heavy Atoms | 9 |
| Complexity | 208.0 |
| SMILES | C(#N)C(=C(S)S)C(=O)N |
| InChIKey | YVEPZNRRZJMFLR-UHFFFAOYSA-N |
The XLogP value of -0.2 indicates that 2-Propenamide, 2-cyano-3,3-dimercapto- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenamide, 2-cyano-3,3-dimercapto-. Following Lipinski's Rule of Five, 2-Propenamide, 2-cyano-3,3-dimercapto- has 3 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 2-Propenamide, 2-cyano-3,3-dimercapto- is 118373-67-4.
The molecular formula of 2-Propenamide, 2-cyano-3,3-dimercapto- is C4H4N2OS2.
The molecular weight of 2-Propenamide, 2-cyano-3,3-dimercapto- is 159.9765 g/mol.
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