4-Chlorothioanisole (CAS 123-09-1)

4-Chlorothioanisole (CAS 123-09-1) 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.

Wzór sumaryczny	C7H7ClS
Masa molowa	158.65 g/mol
IUPAC	1-chloro-4-methylsulfanylbenzene
SMILES	CSC1=CC=C(C=C1)Cl
InChIKey	KIQQUVJOLVCZKG-UHFFFAOYSA-N
logP (XLogP3)	3.1
PSA	25.3 Ų
HBD / HBA	0 / 1
PubChem CID	CID 31243 ↗

Sygnał: Uwaga

H302 — Działa szkodliwie po połknięciu

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

• 📊 PubChem CID 31243 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność

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