TL;DR: Propanamide, N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]- (CAS 128978-14-3) is a chemical compound with molecular formula C10H11N5OS and molecular weight 249.06844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]propanamide
Also Known As: pyridine-4-thione, Propanamide, N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-, ASN 15447038, N-[3-(5-sulfanylidene-2H-tetrazol-1-yl)phenyl]propanamide, N-[3-(5-Mercapto-tetrazol-1-yl)-phenyl]-propionamide
| Molecular Formula | C10H11N5OS |
| Molecular Weight | 249.06844 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.06844 Da |
| Heavy Atoms | 17 |
| Complexity | 346.0 |
| SMILES | CCC(=O)NC1=CC(=CC=C1)N2C(=S)N=NN2 |
| InChIKey | MMVZXKVOIPGGQN-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanamide, N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanamide, N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]-. Following Lipinski's Rule of Five, Propanamide, N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]- 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 Propanamide, N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]- is 128978-14-3.
The molecular formula of Propanamide, N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]- is C10H11N5OS.
The molecular weight of Propanamide, N-[3-(2,5-dihydro-5-thioxo-1H-tetrazol-1-yl)phenyl]- is 249.06844 g/mol.
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