5-Chloro-2-methyl-4-isothiazolin-3-one — License & Provenance

Name: 5-Chloro-2-methyl-4-isothiazolin-3-one (CAS 26172-55-4) — 3D molecular model
Creator: MolGod Scientific
License: https://creativecommons.org/licenses/by-sa/4.0/

CAS 26172-55-4 · C4H4ClNOS · MolGod 3D molecular model

5-Chloro-2-methyl-4-isothiazolin-3-one (CAS 26172-55-4) — MolGod molecule record: properties, safety, literature and sources for this substance.

COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.

Identity

MolGod Identification Number	`MG_832-555-668-62`
CAS Registry Number	`26172-55-4`
Name source	cache cas-*.json field "title" (angielski)
Molecular formula	C4H4ClNOS
PubChem CID	33344
InChIKey	`DHNRXBZYEKSXIM-UHFFFAOYSA-N`
Wikidata	Q204121
MolGod molecule record	5-Chloro-2-methyl-4-isothiazolin-3-one (CAS 26172-55-4) — molecule record

Geometry provenance

Source	PubChem, record_type=3d (computed conformer)
Endpoint	`https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/33344/record/SDF?record_type=3d`
Dimensionality	`3d`
Retrieved	2026-09-03 09:02:02
Atoms / bonds	12 / 12
Modification	None. Atomic coordinates and connectivity are used unchanged; no geometry was modelled, adjusted or inferred.

Preview

3D molecular model of 5-Chloro-2-methyl-4-isothiazolin-3-one (CAS 26172-55-4), ball-and-stick representation, rendered from the MolGod STL file

Rendered from this exact STL file, not from a second source. Single material — the STL format carries no colour channel. Colours in the preview are assigned by the renderer from the element palette and are not part of the downloadable geometry.

Engraved variant

The element symbol is cut into the sphere, not printed on it. That single difference is what this variant is for.

Print it and you can still read it. The letters are part of the solid, so they survive 3D printing. Pick up the printed model and every atom tells you what it is — no legend, no colour key, no separate sheet. A painted label would vanish the moment the file leaves the screen.
It cannot lose its labelling. The symbol is geometry, not a texture or a material. Open the file in any viewer, any slicer, any CAD package — on any machine, in any colour scheme — and the letters are still there, because there is nothing to strip away.
Bond order is visible in the shape itself. Single, double and triple bonds are built as one, two and three cylinders, following the PubChem Kekulé structure, so a double bond looks like a double bond in your hand. An aromatic ring therefore appears as one Kekulé structure (alternating single and double bonds), although in the real molecule its ring bonds are delocalised, intermediate between single and double.
Teaching and display models that stay correct. Nothing about the identification depends on the software, the render settings or the filament colour.

Why the preview looks the way it does. A carved letter has no colour of its own — on a pale atom it would disappear into the highlight. The preview is rendered from the mesh itself with ray-traced cavity shading, so recesses darken because they are recessed, not because we painted them. What you see is the geometry you will receive. The element colours follow the same palette as the interactive viewer on this site, so the model and the viewer never disagree about what an atom is.

Element symbols are recessed into the atom spheres. Mesh: 171,292 triangles versus 5,184.

Download engraved variant: 5-Chloro-2-methyl-4-isothiazolin-3-one-3D-molecular-model-engraved-CAS-26172-55-4.stl (8 MB)
SHA-256 c4a312a9b1e173d3d4b8a97551168bf949aeb8b183fddd18a6caafc6c9e728ef
Validation: mesh validity check PASS before publication (2026-10-14); external cross-check NOT PERFORMED for this model
Recommended print scale: FDM (0.4 mm nozzle, 0.2 mm layer) at least 7.2 mm per Å (model about 40 mm across); resin printer (50 µm) at least 1.7 mm per Å (about 10 mm). Below this scale the engraved symbols become too fine to print. The printer limits are typical values assumed by MolGod, not a test of your printer.

Artefact

Format	STL (binary). Coordinate convention: ångström (Å) — STL itself stores no unit metadata. Slicers read STL as millimetres by default, so set the scale deliberately before printing.
Print scale	Recommended print scale: FDM (0.4 mm nozzle, 0.2 mm layer) at least 3.4 mm per Å (model about 24 mm across); resin printer (50 µm) at least 0.5 mm per Å (about 4 mm). Below this scale the thinnest bond cylinders become too thin to print. The printer limits are typical values assumed by MolGod, not a test of your printer.
Download	5-Chloro-2-methyl-4-isothiazolin-3-one-3D-molecular-model-CAS-26172-55-4.stl (253 KB)
SHA-256	`81f87f3ade3729af3f830bd8a43f98e3ce00f4073a1f00d9a0dc94812d97b6a0`
MD5	`ca346e9c66a9de2f13ad26d5d4100aee`
Size	259,284 bytes
Triangles	5,184
Mesh	12 atom spheres + 14 bond cylinders (one, two or three per bond, by bond order), each a closed outward-oriented solid; the solids intersect by design.
Atomic radii	van der Waals radii from the versioned MolGod table MG2, values from Bondi 1964 (doi:10.1021/j100785a001), checked against the original publication: Table I, p. 443. Used in this model: C 1.70 Å, Cl 1.75 Å, H 1.20 Å, N 1.55 Å, O 1.52 Å, S 1.80 Å. The file header declares `vdw:MG2`. Sphere scale and bond radius are presentation parameters, not chemical quantities.
Exporter	`MolGod STL Exporter build 48804cd20b0d`
Validator	mesh validity check PASS before publication (2026-10-14); independently confirmed by trimesh 5.1.0 and numpy-stl (4992 triangles, watertight, consistent winding, positive volume), checked 2026-09-26T00:14:31Z
Generated	2026-10-14T14:48:26Z

The STL format stores no bond-order or colour metadata. Bond order is therefore shown geometrically — one, two or three cylinders per bond, following the PubChem Kekulé structure, in both the canonical and the engraved variant — and preserved as data in this record and in the accompanying metadata.

License

License	CC BY-SA 4.0 International
Creator	MolGod Scientific
Required attribution	"5-Chloro-2-methyl-4-isothiazolin-3-one (CAS 26172-55-4) — 3D molecular model" by MolGod Scientific, licensed under CC BY-SA 4.0 International. Rendered as a triangulated mesh (van der Waals spheres and bond cylinders) from the PubChem-computed 3D conformer; atomic coordinates and connectivity unchanged. Source: https://molgod.org/licenses/stl/26172-55-4/
Wikimedia Commons tag	`{{Cc-by-sa-4.0}}`
Source representation	PubChem computed 3D conformer (`record_type=3d`) — generated by PubChem itself, not supplied by a depositor.
Source rights basis	NCBI Molecular Data Usage Policy. NCBI does not itself restrict use or redistribution of molecular data, but does not transfer rights that individual depositors may hold.
Rights assessment	`compatible` — MolGod's own determination that this computed conformer may serve as the geometric basis of a derived mesh. This is not a licence grant by the source. The measured basis is that the conformer is computed by PubChem rather than deposited by a third party. A formal legal assessment of downstream rights has not been carried out; that risk is accepted explicitly and recorded in the MolGod decision register (2026-09-25).
Assessment scope	This assessment covers only the computed 3D conformer used as geometric input. It does not extend to depositor data obtained from PubChem — names, spectra, physicochemical values or anything else.
Source URL	PubChem CID 33344
Source license terms	NCBI Policies and Disclaimers
Source licensing guidance	PubChem data downloads & licensing — PubChem states that an individual data source may provide its own licence terms and that these should be checked per source. This model uses a PubChem-computed conformer, not depositor-supplied data.
Attribution URL	https://molgod.org/molecule/26172-55-4/
License & provenance URL	https://molgod.org/licenses/stl/26172-55-4/
Scope	This license applies to the MolGod-created STL mesh, not automatically to third-party source material.
Licence terms & attribution	MolGod licence and attribution rules →

Licence grant. MolGod Scientific, the creator and copyright holder of the STL mesh of MolGod entity MG_832-555-668-62, variant normal (SHA-256 81f87f3ade3729af3f830bd8a43f98e3ce00f4073a1f00d9a0dc94812d97b6a0), hereby releases it under the CC BY-SA 4.0 International licence. The release covers the MolGod-created mesh only, not third-party source material (see Scope above).

The license above is the legal instrument and is granted by its official Creative Commons deed. This page is the MolGod provenance record for the artefact; it documents the source and the pipeline, and does not impose any condition beyond those of the license itself.