2-Benzothiazolamine, 4-chloro-

CAS 19952-47-7  ·  C7H5ClN2S  ·  MW 184.65 g/mol

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3D model 2-Benzothiazolamine, 4-chloro-, CAS 19952-47-7, molecular formula C7H5ClN2S, molar mass 184.65 g/mol
About 2-Benzothiazolamine, 4-chloro-

2-Benzothiazolamine, 4-chloro- is a chemical compound registered under number CAS 19952-47-7, with the molecular formula C7H5ClN2S, and a molar mass of 184.65 g/mol.

The molecule contains 16 atoms connected by 17 chemical bonds. The full systematic IUPAC name of this compound is 4-chloro-1,3-benzothiazol-2-amine. 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 = 2.7 (positive value, a lipophilic compound), polar surface area PSA = 67.2 Ų, 1 donors and 3 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 formulaC7H5ClN2S
Masa molowa184.65 g/mol
IUPAC4-chloro-1,3-benzothiazol-2-amine
SMILESC1=CC2=C(C(=C1)Cl)N=C(S2)N
InChIKeyOEQQFQXMCPMEIH-UHFFFAOYSA-N
logP (XLogP3)2.7
PSA67.2 Ų
HBD / HBA1 / 3
PubChem CIDCID 29872 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Related literature

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

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📈 Publication timeline (2 articles)

2004: 1 articles20042012: 1 articles2012

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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.

Synonyms
2-AMINO-4-CHLOROBENZOTHIAZOLE · 19952-47-7 · 4-Chloro-1,3-benzothiazol-2-amine · 2-Benzothiazolamine, 4-chloro- · 4-Chlorobenzothiazol-2-ylamine · Benzothiazole, 2-amino-4-chloro- · 4-Chloro-2-benzothiazolamine · EINECS 243-439-5 · BRN 0136784 · DTXCID304470 · 4-27-00-04859 (Beilstein Handbook Reference) · RefChem:465554 · 243-439-5 · 4-chlorobenzo[d]thiazol-2-amine · MFCD00005791
Data sources
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License & Provenance

MolGod 3D molecular model
2-Benzothiazolamine, 4-chloro- — CAS 19952-47-7

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

MolGod License & Provenance Record:
2-Benzothiazolamine, 4-chloro- (CAS 19952-47-7) — License & Provenance

Source:
2-Benzothiazolamine, 4-chloro- (CAS 19952-47-7) — MolGod molecule record

Source data: PubChem CID 29872

STL: Download 3D model (330 KB)

SHA-256: 2def85fa62a10811901a7f082c8ef059d54c2cd59d92ebaad52a27eb891f2f2e

Wikimedia Commons: not published yet

Source data: PubChem CID 29872

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