TL;DR: Acetic acid, 2-[(4-methyl-2-quinazolinyl)thio]- (CAS 125416-70-8) is a chemical compound with molecular formula C11H10N2O2S and molecular weight 234.0463 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-methylquinazolin-2-yl)sulfanylacetic acid
Also Known As: Acetic acid, 2-[(4-methyl-2-quinazolinyl)thio]-, (4-methyl-2-quinazolinylthio)acetic acid, 2-(4-methylquinazolin-2-yl)sulfanylacetic Acid, 2-(4-methylquinazolin-2-ylthio)acetic acid, [(4-methylquinazolin-2-yl)sulfanyl]acetic acid
| Molecular Formula | C11H10N2O2S |
| Molecular Weight | 234.0463 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 88.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.0463 Da |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
| SMILES | CC1=NC(=NC2=CC=CC=C12)SCC(=O)O |
| InChIKey | RTLSTBTWHHGAMQ-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-[(4-methyl-2-quinazolinyl)thio]-. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, 2-[(4-methyl-2-quinazolinyl)thio]-. Following Lipinski's Rule of Five, Acetic acid, 2-[(4-methyl-2-quinazolinyl)thio]- has 1 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 Acetic acid, 2-[(4-methyl-2-quinazolinyl)thio]- is 125416-70-8.
The molecular formula of Acetic acid, 2-[(4-methyl-2-quinazolinyl)thio]- is C11H10N2O2S.
The molecular weight of Acetic acid, 2-[(4-methyl-2-quinazolinyl)thio]- is 234.0463 g/mol.
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