TL;DR: N~6~-(2-Sulfanylethyl)lysine--hydrogen chloride (1/2) (CAS 53478-36-7) is a chemical compound with molecular formula C8H20Cl2N2O2S and molecular weight 278.06226 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5-azaniumyl-5-carboxypentyl)-(2-sulfanylethyl)azanium dichloride
Also Known As: C8H18N2O2S.2ClH.1/3H2O, N(sup 6)-(2-Mercaptoethyl)lysine dihydrochloride hydrate, C8-H18-N2-O2-S.2Cl-H.1/3H2-O, N~6~-(2-Sulfanylethyl)lysine--hydrogen chloride (1/2), LYSINE, N(sup 6)-(2-MERCAPTOETHYL)-, HYDROCHLORIDE, HYDRATE (3:6:1), DL-
| Molecular Formula | C8H20Cl2N2O2S |
| Molecular Weight | 278.06226 g/mol |
| XLogP | -7.65 |
| Topological Polar Surface Area (TPSA) | 82.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 278.06226 Da |
| Heavy Atoms | 15 |
| Complexity | 144.0 |
| SMILES | C(CC[NH2+]CCS)CC(C(=O)O)[NH3+].[Cl-].[Cl-] |
| InChIKey | PMQIFYUAIMGDQH-UHFFFAOYSA-N |
The XLogP value of -7.65 indicates that N~6~-(2-Sulfanylethyl)lysine--hydrogen chloride (1/2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N~6~-(2-Sulfanylethyl)lysine--hydrogen chloride (1/2). Following Lipinski's Rule of Five, N~6~-(2-Sulfanylethyl)lysine--hydrogen chloride (1/2) has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N~6~-(2-Sulfanylethyl)lysine--hydrogen chloride (1/2) is 53478-36-7.
The molecular formula of N~6~-(2-Sulfanylethyl)lysine--hydrogen chloride (1/2) is C8H20Cl2N2O2S.
The molecular weight of N~6~-(2-Sulfanylethyl)lysine--hydrogen chloride (1/2) is 278.06226 g/mol.
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