P-Toluenesulfonic Acid (CAS 104-15-4)

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 (CAS 104-15-4)

P-Toluenesulfonic Acid (CAS 104-15-4) 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
Wzór sumarycznyC7H8O3S
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

Sygnał: Uwaga

GHS07
GHS07

H335 — Może powodować podrażnienie dróg oddechowych

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

Scientific literature

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

Data sources
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