Sodium methallylsulfonate

CAS 1561-92-8  ·  C₄H₇NaO₃S  ·  MW 158.15 g/mol

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3D model Sodium methallylsulfonate, CAS 1561-92-8, molecular formula C₄H₇NaO₃S, molar mass 158.15 g/mol

Model views

  • Sodium methallylsulfonate (CAS 1561-92-8) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Sodium methallylsulfonate (CAS 1561-92-8) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • Sodium methallylsulfonate (CAS 1561-92-8) – space-filling 3D model, MolGod Viewer
    space-filling 3D model
  • Sodium methallylsulfonate (CAS 1561-92-8) – 2D structure, MolGod Viewer
    2D structure

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About Sodium methallylsulfonate

Sodium methallylsulfonate is a chemical compound registered under number CAS 1561-92-8, with the molecular formula C₄H₇NaO₃S, and a molar mass of 158.15 g/mol.

The molecule contains 16 atoms connected by 15 chemical bonds. The full systematic IUPAC name of this compound is sodium 2-methylprop-2-ene-1-sulfonate. 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 = 65.6 Ų, 0 donors and 3 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 formulaC₄H₇NaO₃S
Molar mass158.15 g/mol
IUPACsodium 2-methylprop-2-ene-1-sulfonate
SMILESCC(=C)CS(=O)(=O)[O-].[Na+]
InChIKeySZHIIIPPJJXYRY-UHFFFAOYSA-M
logP (XLogP3)—
PSA65.6 Ų
HBD / HBA0 / 3
PubChem CIDCID 23663624 ↗
GHS safety

Signal word: Warning

GHS07
GHS07
Scientific literature

Related literature

15 articles · 4 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (number of articles: 15)

1978: number of articles 119781980: number of articles 11983: number of articles 11986: number of articles 11990: number of articles 11991: number of articles 11995: number of articles 119951997: number of articles 21999: number of articles 12001: number of articles 22003: number of articles 12018: number of articles 12024: number of articles 12024

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

Synonyms
1561-92-8 · Sodium methallylsulfonate · Methallyl sulfonate · Sodium methallyl sulfonate · ARA0T9ZU4A · NSC-2253 · RefChem:156852 · 216-341-5 · sodium methylallyl sulfonate · Sodium 2-methylprop-2-ene-1-sulfonate · 2-Methyl-2-propene-1-sulfonic acid sodium salt · C4H7NaO3S · Sodium 2-Methyl-2-propene-1-sulfonate · 2-Propene-1-sulfonic acid, 2-methyl-, sodium salt · NSC 2253
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/23663624
  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)
Sodium methallylsulfonate (CAS 1561-92-8), C₄H₇NaO₃S - 3D ball-and-stick molecular model, engraved element symbols (C H Na O S), MolGod STL previewDownload image

MG-STL-1561-92-8-ENGRAVED · 227,516 △ · 11 MB · SHA-256 e8f000694b6fad12

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Sodium methallylsulfonate (CAS 1561-92-8), C₄H₇NaO₃S - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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Model
Sodium methallylsulfonate · 1561-92-8
InChIKey
SZHIIIPPJJXYRY-UHFFFAOYSA-M
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Sodium methallylsulfonate (CAS 1561-92-8)
License & provenance record
Sodium methallylsulfonate (CAS 1561-92-8) →
MolGod molecule record
Sodium methallylsulfonate →
Source data
PubChem CID 23663624 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
de2f255d6275dd53d0401a3d0e0568ef52c325376800a276463d6535cabcb86f
MD5 (STL)
b3a0e55bd6feaa51d064810347ddb5f1
Model identifier
MG-STL-1561-92-8
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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