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In the title compound, C12H13NO4S, a systemic fungicide, the heterocycle adopts a lounge chair conformation and the dihedral angle between the ring planes is 25.8 (2)°. Intermolecular C—H...O hydrogen bonds are noted in the crystal structure. Also observed is a short interaction of a methylene hydrogen atom with the π-electron system of a phenyl ring in an adjacent molecule.

In the title molecular salt, C7H14N5O+·Cl− (the HCl salt of the oxo derivative of the triazine herbicide simazine), the cation and anion are linked by N—H...Cl hydrogen bonds. The chloride ion is also involved in a close electrostatic interaction with an inversion-related triazine ring [Cl...centroid distance = 3.201 (1) Å]. A π–π interaction having a centroid...centroid distance of 3.456 (2) Å exists between pairs of rings via another inversion relation. The triazine ring and adjacent non-H atoms are essentially planar (r.m.s. deviation = 0.042 Å), while both methyl groups are approximately perpendicular and on the same side of the plane [torsion angles = 79.3 (3) and −84.6 (3)°]. Upon exposure to X-rays for about two days, the color of the title compound changed from colorless to a pale yellow-orange with no apparent affect on the structure as evidenced by no significant change in the intensities of the standard reflections.