1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N-(1,1-dimethylethyl)-N'-methyl-
Basic information
- CAS
103427-44-7- Standard SMILES
CNc1nc(NC(C)(C)C)nc(SC(F)F)n1- InChIKey
VSYWVJSUBCAGAX-UHFFFAOYSA-N- Molecular formula
- C9H15F2N5S
- Average molar mass
- 263.31 g/mol
- Monoisotopic mass
- 263.101623
Names & identifiers
- Preferred name
- 1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N-(1,1-dimethylethyl)-N'-methyl-
- IUPAC
- 2-N-tert-butyl-6-(difluoromethylsulfanyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
Names & synonyms
103427-44-7DTXSID809083781,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N-(1,1-dimethylethyl)-N'-methyl-N-tert-Butyl-6-[(difluoromethyl)sulfanyl]-4-(methylimino)-1,4-dihydro-1,3,5-triazin-2-amine
Database identifiers
- CAS
103427-44-7- PubChem CID
- 190503
- DTXSID
DTXSID80908378
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 236
Experimental & physicochemical properties
LogP3.91
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Compound notes
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