5-Chloro-1,3-benzothiazole

5-Chloro-1,3-benzothiazole is a chemical compound registered under number CAS 2786-51-8, with the molecular formula C₇H₄ClNS, and a molar mass of 169.63 g/mol.

The molecule contains 14 atoms connected by 15 chemical bonds. The full systematic IUPAC name of this compound is 5-chloro-1,3-benzothiazole. 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 = 2.6 (positive value, a lipophilic compound), polar surface area PSA = 41.1 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.

Molecular formula	C7H4ClNS
Masa molowa	169.63 g/mol
IUPAC	5-chloro-1,3-benzothiazole
SMILES	C1=CC2=C(C=C1Cl)N=CS2
InChIKey	YTSFYTDPSSFCLU-UHFFFAOYSA-N
logP (XLogP3)	2.6
PSA	41.1 Ų
HBD / HBA	0 / 2
PubChem CID	CID 14388566 ↗

2786-51-8 · 5-chloro-1,3-benzothiazole · RefChem:302166 · DTXCID90510486 · 5-Chlorobenzo[d]thiazole · 5-CHLOROBENZOTHIAZOLE · BENZOTHIAZOLE, 5-CHLORO- · 5-CHLORO-1,3-BENZOTHIAZOL · MFCD00227392 · 5-chlorobenzothiazole; · SCHEMBL584449 · CXMPSODIUMSALT · SCHEMBL209055 · 5-chloranyl-1,3-benzothiazole · SCHEMBL29354147

• 📊 PubChem CID 14388566 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność