Trimethylsulfonium hydroxide

CAS 17287-03-5  ·  C₃H₁₀OS  ·  MW 94.18 g/mol

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3D model Trimethylsulfonium hydroxide, CAS 17287-03-5, molecular formula C₃H₁₀OS, molar mass 94.18 g/mol
About Trimethylsulfonium hydroxide

Trimethylsulfonium hydroxide is a chemical compound registered under number CAS 17287-03-5, with the molecular formula C₃H₁₀OS, and a molar mass of 94.18 g/mol.

The molecule contains 15 atoms connected by 13 chemical bonds. The full systematic IUPAC name of this compound is trimethylsulfanium hydroxide. 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, polar surface area PSA = 2 Ų, 1 donors and 1 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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC₃H₁₀OS
Molar mass94.18 g/mol
IUPACtrimethylsulfanium hydroxide
SMILESC[S+](C)C.[OH-]
InChIKeyMDTPTXSNPBAUHX-UHFFFAOYSA-M
logP (XLogP3)—
PSA2 Ų
HBD / HBA1 / 1
PubChem CIDCID 11105313 ↗
GHS safety

Signal word: Danger

GHS05
GHS05

H314 — Causes severe skin burns and eye damage

Scientific literature

Related literature

1 articles · 1 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

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

Synonyms
Trimethylsulfonium hydroxide · 17287-03-5 · Sulfonium, trimethyl-, hydroxide · 835839L58Y · RefChem:191821 · trimethylsulfanium;hydroxide · UNII-835839L58Y · AI3-61509 · MFCD00216756 · Trimethylsulfonium Hydroxide (0.2mol/L in Methanol) · Trimethylsulfonium Hydroxide (0.2mol/L in Methanol) [Methylating Reagent] · Trimethylsulfanium Hydroxide · C3H10OS · Trimethylsulfoniumhydroxyd · trimethylsulfonium;hydroxide
Data sources
Related molecules
📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

This substance consists of 2 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/11105313
  8. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
Trimethylsulfonium hydroxide (CAS 17287-03-5), C₃H₁₀OS - 3D ball-and-stick molecular model, engraved element symbols (C H O S), MolGod STL previewDownload image

MG-STL-17287-03-5-ENGRAVED · 163,188 △ · 8 MB · SHA-256 ddf39c0312808cc6

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Trimethylsulfonium hydroxide (CAS 17287-03-5), C₃H₁₀OS - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-17287-03-5-NORMAL · 6,048 △ · 295 KB · SHA-256 68487e3d87410fb3

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Model
Trimethylsulfonium hydroxide · 17287-03-5
InChIKey
MDTPTXSNPBAUHX-UHFFFAOYSA-M
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Trimethylsulfonium hydroxide (CAS 17287-03-5)
License & provenance record
Trimethylsulfonium hydroxide (CAS 17287-03-5) →
MolGod molecule record
Trimethylsulfonium hydroxide →
Source data
PubChem CID 11105313 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
68487e3d87410fb38b3c1e00bc1c51ead8297bfa84f76f26d33d00656c6c6293
MD5 (STL)
e625efc9e0752e178a4913fedb6370ed
Model identifier
MG-STL-17287-03-5
Transformation
MolGod Scientific ball-and-stick mesh
Changes
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
not published yet

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

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