TL;DR: N-(6-sulfanylidene-1H-pyridin-3-yl)acetamide (CAS 135309-02-3) is a chemical compound with molecular formula C7H8N2OS and molecular weight 168.03574 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(6-sulfanylidene-1H-pyridin-3-yl)acetamide
Also Known As: 8,8''-Bibaicalein, N-(6-sulfanylpyridin-3-yl)acetamide, N-(6-sulfanylidene-1H-pyridin-3-yl)acetamide, N-(6-thioxo-1H-pyridin-3-yl)acetamide, Acetamide, N-(1,6-dihydro-6-thioxo-3-pyridinyl)-
| Molecular Formula | C7H8N2OS |
| Molecular Weight | 168.03574 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 73.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.03574 Da |
| Heavy Atoms | 11 |
| Complexity | 255.0 |
| SMILES | CC(=O)NC1=CNC(=S)C=C1 |
| InChIKey | NFNSLAPHFZORDL-UHFFFAOYSA-N |
The XLogP value of -0.3 indicates that N-(6-sulfanylidene-1H-pyridin-3-yl)acetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-sulfanylidene-1H-pyridin-3-yl)acetamide. Following Lipinski's Rule of Five, N-(6-sulfanylidene-1H-pyridin-3-yl)acetamide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(6-sulfanylidene-1H-pyridin-3-yl)acetamide is 135309-02-3.
The molecular formula of N-(6-sulfanylidene-1H-pyridin-3-yl)acetamide is C7H8N2OS.
The molecular weight of N-(6-sulfanylidene-1H-pyridin-3-yl)acetamide is 168.03574 g/mol.
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