p-Toluenesulfonic acid

CAS 104-15-4  ·  C7H8O3S  ·  MW 172.20 g/mol

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3D model p-Toluenesulfonic acid, CAS 104-15-4, molecular formula C7H8O3S, molar mass 172.20 g/mol

Model views

  • p-Toluenesulfonic acid (CAS 104-15-4) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • p-Toluenesulfonic acid (CAS 104-15-4) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • space-filling 3D model – rotation animation
  • p-Toluenesulfonic acid (CAS 104-15-4) – 2D structure, MolGod Viewer
    2D structure

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About p-Toluenesulfonic acid

p-Toluenesulfonic acid is a chemical compound registered under number CAS 104-15-4, with the molecular formula C7H8O3S, and a molar mass of 172.20 g/mol.

The molecule contains 19 atoms connected by 19 chemical bonds. The full systematic IUPAC name of this compound is 4-methylbenzenesulfonic acid. 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 = 1.7 (positive value, a lipophilic compound), polar surface area PSA = 62.8 Ų, 1 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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties
Molecular formulaC7H8O3S
Molar mass172.20 g/mol
IUPAC4-methylbenzenesulfonic acid
SMILESCC1=CC=C(C=C1)S(=O)(=O)O
InChIKeyJOXIMZWYDAKGHI-UHFFFAOYSA-N
logP (XLogP3)1.7
PSA62.8 Ų
HBD / HBA1 / 3
PubChem CIDCID 6101 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H335 — May cause respiratory irritation

H315 — Causes skin irritation

H319 — Causes serious eye irritation

Scientific literature

Brak articles naukowych dla CAS 104-15-4 w PubMed / OpenAlex / Semantic Scholar.

Data sources
Related molecules
📜 License & provenanceMolGod_License_1
COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.
Model
p-Toluenesulfonic acid · 104-15-4
InChIKey
JOXIMZWYDAKGHI-UHFFFAOYSA-N
License
CC BY-SA 4.0 International
Attribution
MolGod Scientific — p-Toluenesulfonic acid (CAS 104-15-4)
License & provenance record
p-Toluenesulfonic acid (CAS 104-15-4) →
MolGod molecule record
p-Toluenesulfonic acid →
Source data
PubChem CID 6101 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
e5111aeb05ab646cc3a5015f3d15f0f031fc7285354ac143c857c25862d8d020
MD5 (STL)
7acdc4963a1de258d6db074630fef618
MolGod Identification Number
MG_861-699-970-46
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
STL · PNG
Free printable molecule model
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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.23670692) · Wikimedia Commons
Included in datasets: Hugging Face · OSF project index
Source structure: PubChem (CID 6101)
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