1,3,5-Triazine-2,4-diamine, N-ethyl-N'-(1-methylethyl)-6-(methylsulfinyl)-
Basic information
- CAS
80525-15-1- Standard SMILES
CCNc1nc(NC(C)C)nc(S(C)=O)n1- InChIKey
LKFFHIOAQPRPCO-UHFFFAOYSA-N- Molecular formula
- C9H17N5OS
- Average molar mass
- 243.33 g/mol
- Monoisotopic mass
- 243.11538136
Overview
N-Ethyl-N'-isopropyl-6-(methylsulfinyl)-1,3,5-triazine-2,4-diamine is a diamino-1,3,5-triazine.
Names & identifiers
- Preferred name
- 1,3,5-Triazine-2,4-diamine, N-ethyl-N'-(1-methylethyl)-6-(methylsulfinyl)-
- IUPAC
- 4-N-ethyl-6-methylsulfinyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
- English name
- 1,3,5-Triazine-2,4-diamine, N2-ethyl-N4-(1-methylethyl)-6-(methylsulfinyl)-
- Molecular formula
- C9H17N5OS
- Molecular weight
- 243.33
Names & synonyms
ametryne sulfoxideAmetrynesulfoxide80525-15-10DCG2PQ45V1,3,5-Triazine-2,4-diamine, N-ethyl-N'-(1-methylethyl)-6-(methylsulfinyl)-ametryn sulfoxideUNII-0DCG2PQ45VCHEBI:188905DTXSID2010012994-N-ethyl-6-methylsulinyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamineN-Ethyl-N'-isopropyl-6-(methylsulfinyl)-1,3,5-triazine-2,4-diamine1,3,5-TRIAZINE-2,4-DIAMINE, N2-ETHYL-N4-(1-METHYLETHYL)-6-(METHYLSULFINYL)-
Show more names
N~4~-Ethyl-6-(methanesulfinyl)-N~2~-(propan-2-yl)-1,3,5-triazine-2,4(1H,3H)-diimineN2-ETHYL-N4-(1-METHYLETHYL)-6-(METHYLSULFINYL)-1,3,5-TRIAZINE-2,4-DIAMINE
Database identifiers
- CAS
80525-15-1- PubChem CID
- 157663
- DTXSID
DTXSID201001299- ChEBI
CHEBI:188905
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 99 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 238
Physicochemical properties
- Boiling point
- 453 · 453.0±28.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 1.48 · 1.48±0.10(Predicted)
- FDA UNII
- 0 DCG2PQ45V · 0DCG2PQ45V
Chemistry & industry
Additional notes
DefinitionChEBI: N-Ethyl-N'-isopropyl-6-(methylsulfinyl)-1,3,5-triazine-2,4-diamine is a diamino-1,3,5-triazine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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