TL;DR: 1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N-ethyl- (CAS 1112-50-1) is a chemical compound with molecular formula C6H9F2N5S and molecular weight 221.05467 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(difluoromethylsulfanyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine
Also Known As: Chamaenericacid, 1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N-ethyl-, 1,3,5-Triazine-2,4-diamine,6-[(difluoromethyl)thio]-N2-ethyl-, 6-[(difluoromethyl)sulfanyl]-n-ethyl-1,3,5-triazine-2,4-diamine, 6-(difluoromethylsulfanyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine
| Molecular Formula | C6H9F2N5S |
| Molecular Weight | 221.05467 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.05467 Da |
| Heavy Atoms | 14 |
| Complexity | 172.0 |
| SMILES | CCNC1=NC(=NC(=N1)N)SC(F)F |
| InChIKey | ZQNPRVIRCUOQNJ-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N-ethyl-. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N-ethyl-. Following Lipinski's Rule of Five, 1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N-ethyl- has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N-ethyl- is 1112-50-1.
The molecular formula of 1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N-ethyl- is C6H9F2N5S.
The molecular weight of 1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N-ethyl- is 221.05467 g/mol.
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