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
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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC7H8O3S
Masa molowa172.20 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 — Może powodować podrażnienie dróg oddechowych

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

Scientific literature

Related literature

2 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Data sources
Related molecules
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License & Provenance

MolGod 3D molecular model
p-Toluenesulfonic acid — CAS 104-15-4

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
p-Toluenesulfonic acid (CAS 104-15-4) — License & Provenance

Source:
p-Toluenesulfonic acid (CAS 104-15-4) — MolGod molecule record

Source data: PubChem CID 6101

STL: Download 3D model (386 KB)

SHA-256: 37df23eb8904c9eb28c42199ba2abe42febac1082493e3720f9c9c2aa74cad89

Wikimedia Commons: not published yet

Source data: PubChem CID 6101

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