Theophylline 3D Molecular Model — CAS 58-55-9

Theophylline (C7H8N4O2, CAS 58-55-9) — a free educational 3D molecular model for teachers and students, by MolGod.org. Every atom carries its engraved element symbol (C, H, O, N...), so no colour key is needed.

Look at the skeleton first: Theophylline contains two rings (one 5-membered and one 6-membered), fused along a shared edge, one of them aromatic, and students can trace 22 bonds (15 single, 3 double and 4 aromatic). Quick starter: ask students to count the engraved symbols (7 C + 8 H + 4 N + 2 O) and check that they add up to 21 atoms and the formula C7H8N4O2. Team task: with the model in hand, each group marks the pyridine-type ring nitrogen, then writes down what they found. Use it when you teach aromaticity and delocalised electrons, fused ring systems, as well as heteroaromatic rings (nitrogen inside an aromatic ring). Its closest structural relatives in the MolGod.org collection are caffeine (CAS 58-08-2) and Acefylline (CAS 652-37-9); printing them side by side makes a quick compare-and-contrast exercise.

MolGod.org builds and releases these models at no cost for chemistry teaching. Teachers: print one per group and let students check the structure against the formula.

Full record and more free models: https://molgod.org/molecule/58-55-9/?utm_source=myminifactory&utm_medium=referral&utm_campaign=edu-3d-models Licence & provenance: https://molgod.org/licenses/stl/58-55-9/ Same file on Wikimedia Commons: https://commons.wikimedia.org/wiki/File:Theophylline-3D-molecular-model-engraved-CAS-58-55-9.stl

A ball-and-stick model of Theophylline with each element symbol recessed into its atom sphere, generated by MolGod.org from a PubChem-computed 3D conformer (not an experimental crystal structure); atomic coordinates and connectivity are unchanged. STL mesh: 281,566 triangles, closed (watertight) single solid. Coordinates in ångström (STL stores no unit) — scale the model deliberately in your slicer.

Names in other languages: Theophyllin (de); théophylline (fr); teofillina (it); theofylline (nl); teofilina (pl); 茶碱 (zh).

Chemical identity - CAS Registry Number: 58-55-9 - Molecular formula: C7H8N4O2 - Molar mass: 180.16 g/mol (exact mass 180.06472551) - IUPAC name: 1,3-dimethyl-7H-purine-2,6-dione - MolGod ID: MG_539-553-941-70 (https://molgod.org/id/MG_539-553-941-70) - PubChem CID: 2153 (https://pubchem.ncbi.nlm.nih.gov/compound/2153) - Wikidata: Q407308 (https://www.wikidata.org/wiki/Q407308) - EC number: 200-385-7 - ChemSpider ID: 2068 - InChIKey: ZFXYFBGIUFBOJW-UHFFFAOYSA-N - SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2

Required attribution (CC BY-SA 4.0): "Theophylline 3D model by MolGod.org — https://molgod.org/molecule/58-55-9/ — CC BY-SA 4.0" Licence text: https://creativecommons.org/licenses/by-sa/4.0/