Molecule ID: 13450

IUPAC Name: 2-N-tert-butyl-4-N-ethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine

Description: The molecule is a methylthio-1,3,5-triazine that is 2-(methylsulfanyl)-1,3,5-triazine substituted by a tert-butylamino and an ethylamino group at positions 2 and 4 respectively. It has a role as a herbicide, a xenobiotic and an environmental contaminant. It is a methylthio-1,3,5-triazine and a diamino-1,3,5-triazine.

SMILES: CCN=c1nc(NC(C)(C)C)[nH]c(SC)n1

SELFIES: [C][C][N][=C][N][=C][Branch1][#Branch2][N][C][Branch1][C][C][Branch1][C][C][C][NH1][C][Branch1][Ring1][S][C][=N][Ring1][=N]

InChI: InChI=1S/C10H19N5S/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)

Molecular Properties:
- Polar Surface Area: 88.0 Ų
- LogP: 3.7