1-Chloro-4-(methylthio)benzene

CAS 123-09-1  ·  C7H7ClS  ·  MW 158.65 g/mol

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3D model 1-Chloro-4-(methylthio)benzene, CAS 123-09-1, molecular formula C7H7ClS, molar mass 158.65 g/mol
About 1-Chloro-4-(methylthio)benzene

1-Chloro-4-(methylthio)benzene is a chemical compound registered under number CAS 123-09-1, with the molecular formula C7H7ClS, and a molar mass of 158.65 g/mol.

The molecule contains 16 atoms connected by 16 chemical bonds. The full systematic IUPAC name of this compound is 1-chloro-4-methylsulfanylbenzene. 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 = 3.1 (positive value, a lipophilic compound), polar surface area PSA = 25.3 Ų, 0 donors and 1 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 formulaC7H7ClS
Masa molowa158.65 g/mol
IUPAC1-chloro-4-methylsulfanylbenzene
SMILESCSC1=CC=C(C=C1)Cl
InChIKeyKIQQUVJOLVCZKG-UHFFFAOYSA-N
logP (XLogP3)3.1
PSA25.3 Ų
HBD / HBA0 / 1
PubChem CIDCID 31243 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H302 — Działa szkodliwie po połknięciu

Scientific literature

Related literature

20 articles · 11 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (20 articles)

2008: 2 articles20082009: 1 articles2022: 1 articles20222023: 13 articles2024: 1 articles2024

Bar height = number of articles per year. Hover dla szczegółów.

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

Synonyms
123-09-1 · 4-Chlorophenyl methyl sulfide · p-Chlorothioanisole · 1-CHLORO-4-(METHYLTHIO)BENZENE · Methyl 4-chlorophenyl sulfide · Methyl p-chlorophenyl sulfide · Sulfide, p-chlorophenyl methyl · 031E43FWKK · NSC-72090 · DTXCID403973 · CPMS · RefChem:522033 · para-chlorophenyl methyl sulfide · 204-600-5 · 4-Chlorothioanisole
Data sources
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License & Provenance

MolGod 3D molecular model
1-Chloro-4-(methylthio)benzene — CAS 123-09-1

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

MolGod License & Provenance Record:
1-Chloro-4-(methylthio)benzene (CAS 123-09-1) — License & Provenance

Source:
1-Chloro-4-(methylthio)benzene (CAS 123-09-1) — MolGod molecule record

Source data: PubChem CID 31243

STL: Download 3D model (325 KB)

SHA-256: 9b08b73f68fdcf93538a296d192870cbef3a2da4b631f15d4ed90c773355ac01

Wikimedia Commons: not published yet

Source data: PubChem CID 31243

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