TL;DR: 6H-1,3,4-Thiadiazin-2-amine, 5-(4-chlorophenyl)- (CAS 139420-59-0) is a chemical compound with molecular formula C9H8ClN3S and molecular weight 225.01274 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-amine
Also Known As: 5-(4-chlorophenyl)-6H-1,3,4-thiadiazin-2-amine, 6H-1,3,4-Thiadiazin-2-amine, 5-(4-chlorophenyl)-, BAS 06289714, 5-(4-Chlorophenyl)-2-amino-6H-1,3,4-thiadiazine, 5-(4-Chlorophenyl)-6H-1,3,4-thiadiazine-2-amine
| Molecular Formula | C9H8ClN3S |
| Molecular Weight | 225.01274 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 76.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.01274 Da |
| Heavy Atoms | 14 |
| Complexity | 269.0 |
| SMILES | C1C(=NN=C(S1)N)C2=CC=C(C=C2)Cl |
| InChIKey | GIAOPTGPMKOUOK-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6H-1,3,4-Thiadiazin-2-amine, 5-(4-chlorophenyl)-. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6H-1,3,4-Thiadiazin-2-amine, 5-(4-chlorophenyl)-. Following Lipinski's Rule of Five, 6H-1,3,4-Thiadiazin-2-amine, 5-(4-chlorophenyl)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6H-1,3,4-Thiadiazin-2-amine, 5-(4-chlorophenyl)- is 139420-59-0.
The molecular formula of 6H-1,3,4-Thiadiazin-2-amine, 5-(4-chlorophenyl)- is C9H8ClN3S.
The molecular weight of 6H-1,3,4-Thiadiazin-2-amine, 5-(4-chlorophenyl)- is 225.01274 g/mol.
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