对甲苯磺酸 (CAS 98-11-3)

Benzenesulfonic Acid

CAS 98-11-3  ·  C6H6O3S  ·  MW 158.18 g/mol

Loading molecule...
3D model Benzenesulfonic Acid, CAS 98-11-3, molecular formula C6H6O3S, molar mass 158.18 g/mol
About 对甲苯磺酸 (CAS 98-11-3)

对甲苯磺酸 (CAS 98-11-3) is a chemical compound registered under number CAS 98-11-3, with the molecular formula C6H6O3S, and a molar mass of 158.18 g/mol.

The molecule contains 16 atoms connected by 16 chemical bonds. The full systematic IUPAC name of this compound is benzenesulfonic 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 = 0 (negative value, a hydrophilic 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 sumarycznyC6H6O3S
Masa molowa158.18 g/mol
IUPACbenzenesulfonic acid
SMILESC1=CC=C(C=C1)S(=O)(=O)O
InChIKeySRSXLGNVWSONIS-UHFFFAOYSA-N
logP (XLogP3)0
PSA62.8 Ų
HBD / HBA1 / 3
PubChem CIDCID 7371 ↗
GHS safety

Sygnał: Niebezpieczeństwo

GHS05
GHS05
GHS07
GHS07

H314 — Powoduje poważne oparzenia skóry oraz uszkodzenia oczu

H302 — Działa szkodliwie po połknięciu

H318 — Powoduje poważne uszkodzenie oczu

Scientific literature

Brak artykułów naukowych dla CAS 98-11-3 w PubMed / OpenAlex / Semantic Scholar.

Synonyms
BENZENESULFONIC ACID · 98-11-3 · Phenylsulfonic acid · Benzenesulphonic acid · Besylic acid · Benzene sulphonic acid · Benzenemonosulfonic acid · Kyselina benzensulfonova · 17-120A · DTXCID404568 · 685928Z18A · CHEBI:64455 · RefChem:5586 · 202-638-7 · benzensulfonic acid
Data sources
Buy in the shop
Related molecules