1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N-ethyl-N'-(1-methylethyl)-
Basic information
- CAS
103427-54-9- Standard SMILES
CCNc1nc(NC(C)C)nc(SC(F)F)n1- InChIKey
AKKBSUUVRDJKDW-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-ethyl-N'-(1-methylethyl)-
- IUPAC
- 6-(difluoromethylsulfanyl)-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Names & synonyms
1,3,5-Triazine-2,4-diamine, 6-((difluoromethyl)thio)-N-ethyl-N'-(1-methylethyl)-103427-54-9DTXSID50908380AKKBSUUVRDJKDW-UHFFFAOYSA-N6-[(Difluoromethyl)sulfanyl]-N~4~-ethyl-N~2~-(propan-2-yl)-1,3,5-triazine-2,4(1H,3H)-diimine
Database identifiers
- CAS
103427-54-9- PubChem CID
- 190508
- DTXSID
DTXSID50908380
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 220
Experimental & physicochemical properties
LogP3.7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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