Molecule ID: 13019211

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

Description: The molecule is a diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine substituted by a methylsulfanyl group at position 6 and a tert-buty group at the amino nitrogen atom. It has a role as an antifouling biocide and a marine xenobiotic metabolite. It is a diamino-1,3,5-triazine and an organic sulfide. It derives from a hydride of a 1,3,5-triazine.

SMILES: CSc1nc(=N)nc(NC(C)(C)C)[nH]1

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

InChI: InChI=1S/C8H15N5S/c1-8(2,3)13-6-10-5(9)11-7(12-6)14-4/h1-4H3,(H3,9,10,11,12,13)

Molecular Properties:
- Polar Surface Area: 102.0 Ų
- LogP: 2.7