TL;DR: N-(2-(Benzyldithio)ethyl)decylamine hydrochloride (CAS 13116-74-0) is a chemical compound with molecular formula C19H34ClNS2 and molecular weight 375.18213 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
decyl-[3-phenyl-3,3-bis(sulfanyl)propyl]azanium chloride
Also Known As: N-(2-(Benzyldithio)ethyl)decylamine hydrochloride, DECYLAMINE, N-(2-(BENZYLDITHIO)ETHYL)-, HYDROCHLORIDE, decyl-[3-phenyl-3,3-bis(sulfanyl)propyl]azanium chloride, NSC 342009
| Molecular Formula | C19H34ClNS2 |
| Molecular Weight | 375.18213 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 18.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 375.18213 Da |
| Heavy Atoms | 23 |
| Complexity | 250.0 |
| SMILES | CCCCCCCCCC[NH2+]CCC(C1=CC=CC=C1)(S)S.[Cl-] |
| InChIKey | MXRLGOFXKWSAGO-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-(Benzyldithio)ethyl)decylamine hydrochloride. With a topological polar surface area (TPSA) of 18.6 Ų, N-(2-(Benzyldithio)ethyl)decylamine hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-(Benzyldithio)ethyl)decylamine hydrochloride has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(2-(Benzyldithio)ethyl)decylamine hydrochloride is 13116-74-0.
The molecular formula of N-(2-(Benzyldithio)ethyl)decylamine hydrochloride is C19H34ClNS2.
The molecular weight of N-(2-(Benzyldithio)ethyl)decylamine hydrochloride is 375.18213 g/mol.
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