TL;DR: 4-Methyl-1,2,3-thiadiazole-5-carbaldehyde (CAS 127108-66-1) is a chemical compound with molecular formula C4H4N2OS and molecular weight 128.00444 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylthiadiazole-5-carbaldehyde
Also Known As: 4-Methyl-1,2,3-thiadiazole-5-carbaldehyde, 4-methylthiadiazole-5-carbaldehyde, CHLOROPHENOLREDSODIUMSALT, 1,2,3-Thiadiazole-5-carboxaldehyde, 4-methyl-, 4-Methyl-1,2,3-thiadiazole-5-carboxaldehyde
| Molecular Formula | C4H4N2OS |
| Molecular Weight | 128.00444 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 128.00444 Da |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
| SMILES | CC1=C(SN=N1)C=O |
| InChIKey | OXDOIOYUIISYNE-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-1,2,3-thiadiazole-5-carbaldehyde. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-1,2,3-thiadiazole-5-carbaldehyde. Following Lipinski's Rule of Five, 4-Methyl-1,2,3-thiadiazole-5-carbaldehyde has 0 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-Methyl-1,2,3-thiadiazole-5-carbaldehyde is 127108-66-1.
The molecular formula of 4-Methyl-1,2,3-thiadiazole-5-carbaldehyde is C4H4N2OS.
The molecular weight of 4-Methyl-1,2,3-thiadiazole-5-carbaldehyde is 128.00444 g/mol.
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