6-[(Difluoromethyl)sulfanyl]-N-methyl-N'-propyl-1,3,5-triazine-2,4-diamine
Basic information
- Standard SMILES
CCCNc1nc(NC)nc(SC(F)F)n1- InChIKey
MUSXFZJPMDHZSW-UHFFFAOYSA-N- Molecular formula
- C8H13F2N5S
- Average molar mass
- 249.29 g/mol
- Monoisotopic mass
- 249.08597293
Names & identifiers
- Preferred name
- 6-[(Difluoromethyl)sulfanyl]-N-methyl-N'-propyl-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-(difluoromethylsulfanyl)-4-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
Names & synonyms
DTXSID0010259046-[(Difluoromethyl)sulfanyl]-N-methyl-N'-propyl-1,3,5-triazine-2,4-diamine
Database identifiers
- PubChem CID
- 13672007
- DTXSID
DTXSID001025904
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 197
Experimental & physicochemical properties
LogP3.28
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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