4-Methyl-2-mercaptobenzothiazole

4-Methyl-2-mercaptobenzothiazole is a chemical compound registered under number CAS 2268-77-1, with the molecular formula C₈H₇NS₂, and a molar mass of 181.3 g/mol.

The molecule contains 18 atoms connected by 19 chemical bonds. The full systematic IUPAC name of this compound is 4-methyl-3H-1,3-benzothiazole-2-thione. 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 = 69.4 Ų, 1 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	C8H7NS2
Masa molowa	181.3 g/mol
IUPAC	4-methyl-3H-1,3-benzothiazole-2-thione
SMILES	CC1=C2C(=CC=C1)SC(=S)N2
InChIKey	JACGKHGTBZGVMW-UHFFFAOYSA-N
logP (XLogP3)	2.6
PSA	69.4 Ų
HBD / HBA	1 / 2
PubChem CID	CID 5138501 ↗

2268-77-1 · 4-METHYL-2-MERCAPTOBENZOTHIAZOLE · RefChem:1071088 · DTXCID30359533 · 4-Methylbenzo[d]thiazole-2(3H)-thione · 4-methyl-3H-1,3-benzothiazole-2-thione · 4-METHYL-1,3-BENZOTHIAZOLE-2-THIOL · 4-Methylbenzothiazole-2-thiol · MFCD22003305 · MLS003373823 · 2(3H)-Benzothiazolethione, 4-methyl- · 2-mercapto-4-methylbenzothiazole · NSC503426 · SCHEMBL546270 · 4-Methyl-2-mercaptobenzothiazol

• 📊 PubChem CID 5138501 — NIH
• 🔬 NIST WebBook — spektroskopia
• 🌐 Wikidata
• 💊 ChEMBL — bioaktywność