TL;DR: 4-(2-Aminoethyl)-2,6-bis(sulfanyl)phenol (CAS 1185163-80-7) is a chemical compound with molecular formula C8H11NOS2 and molecular weight 201.02821 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-aminoethyl)-2,6-bis(sulfanyl)phenol
Also Known As: 3,5-DIMERCAPTOTYRAMINE, 4-(2-aminoethyl)-2,6-bis(sulfanyl)phenol, 4-(2-Aminoethyl)-2,6-dimercaptophenol, 3,5-DIMERCAPTOTYRAMINE HYDROCHLORIDE, 4-(2-aminoethyl)-2,6-bis-sulfanyl-phenol
| Molecular Formula | C8H11NOS2 |
| Molecular Weight | 201.02821 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 48.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.02821 Da |
| Heavy Atoms | 12 |
| Complexity | 133.0 |
| SMILES | C1=C(C=C(C(=C1S)O)S)CCN |
| InChIKey | GHAABSMFAMTDHJ-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Aminoethyl)-2,6-bis(sulfanyl)phenol. With a topological polar surface area (TPSA) of 48.3 Ų, 4-(2-Aminoethyl)-2,6-bis(sulfanyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Aminoethyl)-2,6-bis(sulfanyl)phenol has 4 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 4-(2-Aminoethyl)-2,6-bis(sulfanyl)phenol is 1185163-80-7.
The molecular formula of 4-(2-Aminoethyl)-2,6-bis(sulfanyl)phenol is C8H11NOS2.
The molecular weight of 4-(2-Aminoethyl)-2,6-bis(sulfanyl)phenol is 201.02821 g/mol.
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