TL;DR: 3-(Propylamino)propane-1-thiol (CAS 1529356-29-3) is a chemical compound with molecular formula C6H15NS and molecular weight 133.09251 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(propylamino)propane-1-thiol
Also Known As: 3-propylamino-propane-1-thiol, NCIOpen2_002001, 3-(propylamino)propane-1-thiol, 3-(ethylmethylamino)-1-Propanethiol
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H15NS |
| Molecular Weight | 133.09251 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 13.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 133.09251 Da |
| Heavy Atoms | 8 |
| Complexity | 39.0 |
| SMILES | CCCNCCCS |
| InChIKey | YLBIOIADVQMNJP-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Propylamino)propane-1-thiol. With a topological polar surface area (TPSA) of 13.0 Ų, 3-(Propylamino)propane-1-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Propylamino)propane-1-thiol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(Propylamino)propane-1-thiol is 1529356-29-3.
The molecular formula of 3-(Propylamino)propane-1-thiol is C6H15NS.
The molecular weight of 3-(Propylamino)propane-1-thiol is 133.09251 g/mol.
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