4-Toluenesulfonyl chloride

CAS 98-59-9  ·  C7H7ClO2S  ·  MW 190.65 g/mol

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3D model 4-Toluenesulfonyl chloride, CAS 98-59-9, molecular formula C7H7ClO2S, molar mass 190.65 g/mol
About 4-Toluenesulfonyl chloride

4-Toluenesulfonyl chloride is a chemical compound registered under number CAS 98-59-9, with the molecular formula C7H7ClO2S, and a molar mass of 190.65 g/mol.

The molecule contains 18 atoms connected by 18 chemical bonds. The full systematic IUPAC name of this compound is 4-methylbenzenesulfonyl chloride. 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 = 3 (positive value, a lipophilic compound), polar surface area PSA = 42.5 Ų, 0 donors and 2 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 formulaC7H7ClO2S
Masa molowa190.65 g/mol
IUPAC4-methylbenzenesulfonyl chloride
SMILESCC1=CC=C(C=C1)S(=O)(=O)Cl
InChIKeyYYROPELSRYBVMQ-UHFFFAOYSA-N
logP (XLogP3)3
PSA42.5 Ų
HBD / HBA0 / 2
PubChem CIDCID 7397 ↗
GHS safety

Signal word: Danger

GHS05
GHS05

H318 — Powoduje poważne uszkodzenie oczu

Scientific literature

Related literature

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

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

📈 Publication timeline (2 articles)

1982: 1 articles19822011: 1 articles2011

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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
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License & Provenance

MolGod 3D molecular model
4-Toluenesulfonyl chloride — CAS 98-59-9

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

MolGod License & Provenance Record:
4-Toluenesulfonyl chloride (CAS 98-59-9) — License & Provenance

Source:
4-Toluenesulfonyl chloride (CAS 98-59-9) — MolGod molecule record

Source data: PubChem CID 7397

STL: Download 3D model (366 KB)

SHA-256: 4c101c407151f8e9ab16ff6d760896d765cd1f1c1dae1dcafcddd008a17c5d0c

Wikimedia Commons: not published yet

Source data: PubChem CID 7397

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