Thiacloprid (CAS 111988-49-9)

(3-((6-Chloropyridin-3-yl)methyl)-1,3-thiazolidin-2-ylidene)cyanamide

CAS 111988-49-9 · C₁₀H₉ClN₄S · MW 252.72 g/mol

Thiacloprid (CAS 111988-49-9) — full MolGod record →
Safety data sheet with all sections: GHS classification, transport, regulatory status, spectra, 3D model and literature.

Model views

ball-and-stick 3D model
skeletal 3D model
space-filling 3D model – rotation animation
2D structure

© 2026 MolGod.org. All rights reserved. · Image rights

🖨️ 3D print model & licenseMolGod_Print3D_1

ENGRAVEDNORMAL

(3-((6-Chloropyridin-3-yl)methyl)-1,3-thiazolidin-2-ylidene)cyanamide (CAS 111988-49-9), C10H9ClN4S - 3D ball-and-stick molecular model, engraved element symbols (C H Cl N S), MolGod STL preview

MG_474-346-400-77 · engraved · 336,052 △ · 16 MB · SHA-256 13067f3a71958733

Download 3D model: (3-((6-Chloropyridin-3-yl)methyl)-1,3-thiazolidin-2-ylidene)cyanamide, C₁₀H₉ClN₄S, CAS 111988-49-9 · ENGRAVED (C, H, Cl, N, S) · 16 MB

(3-((6-Chloropyridin-3-yl)methyl)-1,3-thiazolidin-2-ylidene)cyanamide (CAS 111988-49-9), C10H9ClN4S - 3D ball-and-stick molecular model, MolGod STL preview

MG_474-346-400-77 · normal · 11,072 △ · 541 KB · SHA-256 879bd4c6130c4df4

Download 3D model: (3-((6-Chloropyridin-3-yl)methyl)-1,3-thiazolidin-2-ylidene)cyanamide, C₁₀H₉ClN₄S, CAS 111988-49-9 · NORMAL · 541 KB

License & provenance ↓

⚠️ The MolGod.org name and logo, including the raised logo on the base, are our trademark. The CC BY-SA 4.0 licence does not cover trademarks (section 2(b)(2)). Do not use the MolGod.org logo to brand your own products, in advertising, or in any way that suggests our endorsement without our written permission.

About Thiacloprid (CAS 111988-49-9)

Thiacloprid (CAS 111988-49-9) is a chemical compound registered under number CAS 111988-49-9, with the molecular formula C₁₀H₉ClN₄S, and a molar mass of 252.72 g/mol.

The molecule contains 25 atoms connected by 26 chemical bonds. The full systematic IUPAC name of this compound is [3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 2.2 (positive value, a lipophilic compound), polar surface area PSA = 77.6 Å², 0 donors and 4 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties

Molecular formula	C₁₀H₉ClN₄S
Molar mass	252.72 g/mol
IUPAC	[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide
SMILES	`C1CSC(=NC#N)N1CC2=CN=C(C=C2)Cl`
InChIKey	`HOKKPVIRMVDYPB-UHFFFAOYSA-N`
logP (XLogP3)	2.2
PSA	77.6 Å²
HBD / HBA	0 / 4
PubChem CID	CID 115224 ↗

GHS safety

Signal word: Danger

GHS06

GHS06

GHS07

GHS07

GHS08

GHS08

GHS09

GHS09

H351 — Suspected of causing cancer

? — H360FD — May damage fertility. May damage the unborn child

H332 — Harmful if inhaled

H301 — Toxic if swallowed

H336 — May cause drowsiness or dizziness

H400 — Very toxic to aquatic life

H410 — Very toxic to aquatic life with long lasting effects

Scientific literature

Related literature

5 articles · 3 open access · Sources: PubMed, OpenAlex, Semantic Scholar

📈 Publication timeline (number of articles: 5)

Bar height = number of articles in a given year. Hover over a bar to see details.

🔓

Comparison of mechanical and molecular measures of mobility during constant strain rate deformation of a PMMA glass

Benjamin Bending, M. D. Ediger (2026) · arXiv (2608.23434v1)

Cytowania: 22Open AccessDOI ↗PDF ↗

🔓

( <i>Z</i> )- <i>N</i> -{3-[(6-Chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide

Jin-Sheng Gao, Jun Qiao, Ying-Hui Yu et al. (2011) · Acta Crystallographica Section E Structure Reports Online

Cytowania: 4Open AccessDOI ↗PDF ↗

🔓

(Z)-N-{3-[(6-Chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide

Jin-Sheng Gao, Jun Qiao, Ying-Hui Yu et al. (2011) · Acta Crystallographica Section E

Cytowania: 4Open AccessDOI ↗PDF ↗

Design, Synthesis, QSAR Studies, and Molecular Modeling of Some Novel Bis Methyl 2-[3-(benzo[d]thiazol-2-yl)-2-terephthaloyl-bis-4-oxo-thiazolidin- 5-ylidene]acetates and Screening of their Antioxidant and Enzyme Inhibition Properties

Muhammad Naseem, Hummera Rafique, Muhammad Tayyab et al. (2024) · Current Organic Synthesis

Cytowania: 3$ PaywallDOI ↗

Theoretical study on the geometry and vibration of 1-{6-(4-Chlorophenyl)-1-[(6-chloropyridin-3-yl)methyl]-2-[(6-chloropyridin-3-yl)methylsulfanyl]-4-methyl-1,6-dihydropyrimidin-5-yl}ethanone

Yuanzhi Song, Lili Zhang, HuiZhong et al. (2008) · Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Cytowania: 5$ PaywallDOI ↗

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms

[3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide · {3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide · (3-((6-chloropyridin-3-yl)methyl)-1,3-thiazolidin-2-ylidene)cyanamide · RefChem:1050072 · DTXCID90810397 · Thiacloprid · 111988-49-9 · Calypso · (3-((6-Chloro-3-pyridinyl)methyl)-2-thiazolidinylidene)cyanamide · (Z)-thiacloprid · 1119449-18-1 · ({3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}amino)formonitrile · CHEMBL451432 · DSV3A944A4 · {(2Z)-3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene}cyanamide

Data sources

📊 PubChem CID 115224 — NIH
🔬 NIST WebBook — spectroscopy
💊 ChEMBL — bioactivity

Related molecules

Benomyl (CAS 17804-35-2) CAS 17804-35-2 · C14H18N4O3 Shared hazard H360 Ibuprofen (CAS 15687-27-1) CAS 15687-27-1 · C13H18O2 Shared hazard H360 Quinolin-8-ol (CAS 148-24-3) CAS 148-24-3 · C9H7NO Shared hazard H360 Theophylline; 1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (CAS 58-55-9) CAS 58-55-9 · C7H8N4O2 Shared hazard H360 Linuron (CAS 330-55-2) CAS 330-55-2 · C9H10Cl2N2O2 Shared hazard H360 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione CAS 17796-82-6 · C14H15NO2S Shared hazard H351

📜 License & provenanceMolGod_License_1

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

Model: (3-((6-Chloropyridin-3-yl)methyl)-1,3-thiazolidin-2-ylidene)cyanamide · 111988-49-9
InChIKey: HOKKPVIRMVDYPB-UHFFFAOYSA-N
License: CC BY-SA 4.0 International
Attribution: MolGod Scientific — (3-((6-Chloropyridin-3-yl)methyl)-1,3-thiazolidin-2-ylidene)cyanamide (CAS 111988-49-9)
License & provenance record: (3-((6-Chloropyridin-3-yl)methyl)-1,3-thiazolidin-2-ylidene)cyanamide (CAS 111988-49-9) →
MolGod molecule record: (3-((6-Chloropyridin-3-yl)methyl)-1,3-thiazolidin-2-ylidene)cyanamide →
Source data: PubChem CID 115224 ↗
Model information: STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL): 879bd4c6130c4df4ca6bccc884961bf2c5009ed5eaf9e9a0faa482af6b997cf0
MD5 (STL): 7b0d91ada3e745792613999e0ff17643
MolGod Identification Number: MG_474-346-400-77
Transformation: MolGod Scientific ball-and-stick mesh
Changes: Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons: STL · PNG

📄 Download 3D model: (3-((6-Chloropyridin-3-yl)methyl)-1,3-thiazolidin-2-ylidene)cyanamide, C₁₀H₉ClN₄S, CAS 111988-49-9 · NORMAL · 541 KB 📄 Download 3D model: (3-((6-Chloropyridin-3-yl)methyl)-1,3-thiazolidin-2-ylidene)cyanamide, C₁₀H₉ClN₄S, CAS 111988-49-9 · ENGRAVED (C, H, Cl, N, S) · 16 MB

Free printable molecule model
Download the model, print it and use it in education. When you publish a photo, a material or an adaptation, the CC BY-SA 4.0 International licence requires you to credit “MolGod Scientific” as the author of the model, link to the original and to the licence text, indicate any changes you made and share adaptations under the same licence. A ready-to-use attribution text is in this section. No sign-up, no fees and no obligation to leave a review.

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

This 3D model is also published on: Zenodo (DOI 10.5281/zenodo.23283076) · Wikimedia Commons
Included in datasets: Figshare (DOI 10.6084/m9.figshare.34425396) · Harvard Dataverse (DOI 10.7910/DVN/7QALE0) · Hugging Face · OSF project index
Source structure: PubChem (CID 115224)