TL;DR: Glycine, N-(2-mercaptoethyl)-, methyl ester (CAS 116435-39-3) is a chemical compound with molecular formula C5H11NO2S and molecular weight 149.05106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(2-sulfanylethylamino)acetate
Also Known As: Methyl N-(2-sulfanylethyl)glycinate, Glycine, N-(2-mercaptoethyl)-, methyl ester, methyl 2-(2-sulfanylethylamino)acetate, N-(2-Mercaptoethyl)glycine methyl ester
| Molecular Formula | C5H11NO2S |
| Molecular Weight | 149.05106 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 39.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 149.05106 Da |
| Heavy Atoms | 9 |
| Complexity | 87.0 |
| SMILES | COC(=O)CNCCS |
| InChIKey | RHPWTNYPTPZAGI-UHFFFAOYSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glycine, N-(2-mercaptoethyl)-, methyl ester. With a topological polar surface area (TPSA) of 39.3 Ų, Glycine, N-(2-mercaptoethyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Glycine, N-(2-mercaptoethyl)-, methyl ester has 2 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 Glycine, N-(2-mercaptoethyl)-, methyl ester is 116435-39-3.
The molecular formula of Glycine, N-(2-mercaptoethyl)-, methyl ester is C5H11NO2S.
The molecular weight of Glycine, N-(2-mercaptoethyl)-, methyl ester is 149.05106 g/mol.
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