TL;DR: 1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N,N'-diethyl- (CAS 1112-54-5) is a chemical compound with molecular formula C8H13F2N5S and molecular weight 249.08597 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(difluoromethylsulfanyl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
Also Known As: 1,3,5-Triazine,2-difluoromethio-4,6-bis-ethylami, 1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N,N'-diethyl-, 6-[(difluoromethyl)sulfanyl]-n,n'-diethyl-1,3,5-triazine-2,4-diamine, 6-(difluoromethylsulfanyl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine, 6-(difluoromethylsulfanyl)-N,N'-diethyl-1,3,5-triazine-2,4-diamine
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H13F2N5S |
| Molecular Weight | 249.08597 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 88.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 249.08597 Da |
| Heavy Atoms | 16 |
| Complexity | 183.0 |
| SMILES | CCNC1=NC(=NC(=N1)SC(F)F)NCC |
| InChIKey | DFKDJMGCLPVSIK-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N,N'-diethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N,N'-diethyl-. Following Lipinski's Rule of Five, 1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N,N'-diethyl- 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,N'-diethyl- is 1112-54-5.
The molecular formula of 1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N,N'-diethyl- is C8H13F2N5S.
The molecular weight of 1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N,N'-diethyl- is 249.08597 g/mol.
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