| C12H15N3S | Z = 2 |
| Mr = 233.33 | F(000) = 248 |
| Triclinic, P1 | Dx = 1.304 Mg m−3 |
| a = 7.3997 (2) Å | Cu Kα radiation, λ = 1.54178 Å |
| b = 7.5790 (1) Å | Cell parameters from 8773 reflections |
| c = 11.4657 (2) Å | θ = 4.0–70.0° |
| α = 93.0220 (9)° | µ = 2.21 mm−1 |
| β = 105.4530 (9)° | T = 100 K |
| γ = 104.7070 (8)° | Plate, colourless |
| V = 594.45 (2) Å3 | 0.21 × 0.10 × 0.04 mm |