TL;DR: 1,2,5-Thiadiazol-3-amine, 4,5-dihydro-4-(4-methylphenyl)-, 1,1-dioxide (CAS 141542-11-2) is a chemical compound with molecular formula C9H11N3O2S and molecular weight 225.0572 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methylphenyl)-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine
Also Known As: 3-amino-3-morpholinoacrylonitrile, SDCCGMLS-0065027.P001, 3-(4-methylphenyl)-1,1-dioxo-2,3-dihydro-1,2,5-thiadiazol-4-amine, 4-(4-methylphenyl)-1,2,5-thiadiazolidin-3-imine 1,1-dioxide, 1,2,5-Thiadiazol-3-amine, 4,5-dihydro-4-(4-methylphenyl)-, 1,1-dioxide
| Molecular Formula | C9H11N3O2S |
| Molecular Weight | 225.0572 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 92.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.0572 Da |
| Heavy Atoms | 15 |
| Complexity | 363.0 |
| SMILES | CC1=CC=C(C=C1)C2C(=NS(=O)(=O)N2)N |
| InChIKey | HINBIMPVYOXDFH-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,5-Thiadiazol-3-amine, 4,5-dihydro-4-(4-methylphenyl)-, 1,1-dioxide. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,5-Thiadiazol-3-amine, 4,5-dihydro-4-(4-methylphenyl)-, 1,1-dioxide. Following Lipinski's Rule of Five, 1,2,5-Thiadiazol-3-amine, 4,5-dihydro-4-(4-methylphenyl)-, 1,1-dioxide 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 1,2,5-Thiadiazol-3-amine, 4,5-dihydro-4-(4-methylphenyl)-, 1,1-dioxide is 141542-11-2.
The molecular formula of 1,2,5-Thiadiazol-3-amine, 4,5-dihydro-4-(4-methylphenyl)-, 1,1-dioxide is C9H11N3O2S.
The molecular weight of 1,2,5-Thiadiazol-3-amine, 4,5-dihydro-4-(4-methylphenyl)-, 1,1-dioxide is 225.0572 g/mol.
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