2-Chloro-6-methylbenzothiazole

CAS 3507-26-4  ·  C8H6ClNS  ·  MW 183.66 g/mol

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3D model 2-Chloro-6-methylbenzothiazole, CAS 3507-26-4, molecular formula C8H6ClNS, molar mass 183.66 g/mol
About 2-Chloro-6-methylbenzothiazole

2-Chloro-6-methylbenzothiazole is a chemical compound registered under number CAS 3507-26-4, with the molecular formula C8H6ClNS, and a molar mass of 183.66 g/mol.

The molecule contains 17 atoms connected by 18 chemical bonds. The full systematic IUPAC name of this compound is 2-chloro-6-methyl-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 = 3.7 (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.

Physicochemical properties
Molecular formulaC8H6ClNS
Masa molowa183.66 g/mol
IUPAC2-chloro-6-methyl-1,3-benzothiazole
SMILESCC1=CC2=C(C=C1)N=C(S2)Cl
InChIKeyPAKSGYIFUVNJQF-UHFFFAOYSA-N
logP (XLogP3)3.7
PSA41.1 Ų
HBD / HBA0 / 2
PubChem CIDCID 2049866 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H302 — Działa szkodliwie po połknięciu

H319 — Działa drażniąco na oczy

Scientific literature

Related literature

15 articles · 8 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (15 articles)

1960: 1 articles19601961: 1 articles1982: 1 articles1989: 1 articles1997: 1 articles2009: 2 articles2011: 1 articles20112012: 2 articles2013: 1 articles2018: 2 articles2020: 1 articles2024: 1 articles2024

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

(2018) · Routledge Library Editions: Epistemology
$ PaywallDOI ↗

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
Related molecules
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License & Provenance

MolGod 3D molecular model
2-Chloro-6-methylbenzothiazole — CAS 3507-26-4

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

MolGod License & Provenance Record:
2-Chloro-6-methylbenzothiazole (CAS 3507-26-4) — License & Provenance

Source:
2-Chloro-6-methylbenzothiazole (CAS 3507-26-4) — MolGod molecule record

Source data: PubChem CID 2049866

STL: Download 3D model (350 KB)

SHA-256: 65ebb9f3abe037f88a85c3cebe47613826b58cfcbe8cf0c27d737be526ad9662

Wikimedia Commons: not published yet

Source data: PubChem CID 2049866

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