TL;DR: Diethylamine, 2,2'-bis(cyanodithio)-N-methyl-, hydrochloride (CAS 63915-55-9) is a chemical compound with molecular formula C7H11N3S4 and molecular weight 264.98358 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(cyanodisulfanyl)ethyl-methylamino]ethylsulfanyl thiocyanate
Also Known As: Methyl-bis(beta-dithiocyanoethyl)amine hydrochloride, DIETHYLAMINE, 2,2'-BIS(CYANODITHIO)-N-METHYL-, HYDROCHLORIDE, 2-[2-(cyanodisulfanyl)ethyl-methylamino]ethylsulfanyl thiocyanate, Ethanesulfenothioic acid, 2,2'-(methylimino)bis-, bis(anhydrosulfide) with thiocyanic acid, monohydrochloride
| Molecular Formula | C7H11N3S4 |
| Molecular Weight | 264.98358 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 152.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 264.98358 Da |
| Heavy Atoms | 14 |
| Complexity | 204.0 |
| SMILES | CN(CCSSC#N)CCSSC#N |
| InChIKey | DQMJDPBQVYOSNZ-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethylamine, 2,2'-bis(cyanodithio)-N-methyl-, hydrochloride. The TPSA of 152.0 Ų indicates high polarity, suggesting Diethylamine, 2,2'-bis(cyanodithio)-N-methyl-, hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diethylamine, 2,2'-bis(cyanodithio)-N-methyl-, hydrochloride has 0 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 Diethylamine, 2,2'-bis(cyanodithio)-N-methyl-, hydrochloride is 63915-55-9.
The molecular formula of Diethylamine, 2,2'-bis(cyanodithio)-N-methyl-, hydrochloride is C7H11N3S4.
The molecular weight of Diethylamine, 2,2'-bis(cyanodithio)-N-methyl-, hydrochloride is 264.98358 g/mol.
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