TL;DR: AI 3-27073 (CAS 1012-62-0) is a chemical compound with molecular formula C7H15O2PS4 and molecular weight 289.96924 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethoxy-[(2-methyl-1,3-dithiolan-2-yl)methylsulfanyl]-sulfanylidene-λ5-phosphane
Also Known As: Stauffer B 10421, AI 3-27073, AI3-27073, 2-Methyl-2-(methylthio)propanenitrile, B 10421
| Molecular Formula | C7H15O2PS4 |
| Molecular Weight | 289.96924 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.96924 Da |
| Heavy Atoms | 14 |
| Complexity | 222.0 |
| SMILES | CC1(SCCS1)CSP(=S)(OC)OC |
| InChIKey | DSAFSUNZJMZOND-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that AI 3-27073 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AI 3-27073. Following Lipinski's Rule of Five, AI 3-27073 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of AI 3-27073 is 1012-62-0.
The molecular formula of AI 3-27073 is C7H15O2PS4.
The molecular weight of AI 3-27073 is 289.96924 g/mol.
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