Description

5-Chloro-2-mercaptobenzothiazole (CAS: 5331-91-9) is a high-purity organic compound with the molecular formula C₇H₄ClNS₂. This versatile chemical is widely used in industrial and research applications, particularly as a corrosion inhibitor, vulcanization accelerator in rubber production, and as an intermediate in organic synthesis. Our product is rigorously tested to ensure ≥90% purity (technical grade), making it ideal for demanding laboratory and manufacturing processes. Available in crystalline or powdered form, it exhibits excellent stability under standard storage conditions. The compound is also known for its role in antimicrobial formulations and as a chelating agent in analytical chemistry. Proper handling precautions are recommended due to its potential reactivity.

Properties

• CAS Number: 5331-91-9
• Complexity: 185
• IUPAC Name: 5-chloro-3H-1,3-benzothiazole-2-thione
• InChI: InChI=1S/C7H4ClNS2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
• InChI Key: NKYDKCVZNMNZCM-UHFFFAOYSA-N
• Exact Mass: 200.9473692
• Molecular Formula: C7H4ClNS2
• Molecular Weight: 201.7
• SMILES: C1=CC2=C(C=C1Cl)NC(=S)S2
• Topological: 69.4
• Monoisotopic Mass: 200.9473692
• Synonyms: 5-Chloro-2-mercaptobenzothiazole, 5331-91-9, 5-chloro-1,3-benzothiazole-2-thiol, SH-Benzothiazole, 2(3H)-Benzothiazolethione, 5-chloro-, 5-Chloro-2-benzothiazolethiol, 2-BENZOTHIAZOLETHIOL, 5-CHLORO-, Benzothiazole, 5-chloro-2-mercapto-, NSC 3934, EINECS 226-235-0, 2-mercapto-5-chlorobenzothiazole, NSC-3934, R9099U429R, 5-CHLOROBENZOTHIAZOLINE-2-THIONE, 5-CHLORO-2(3H)-BENZOTHIAZOLETHIONE, 2(3H)-Benzothiazolethione, 5-chloro-(9CI), 226-235-0, 5-Chlorobenzo[d]thiazole-2(3H)-thione, 5-chloro-3H-1,3-benzothiazole-2-thione, 5-Chlorobenzo[d]thiazole-2-thiol, 5-chlorobenzothiazole-2-thiol, MFCD00005783, CMBT, MLS000518963, SMR000129383, 5-Chloro-2-mercaptobenzothiazole, zinc salt, 5-Chloro-1,3-benzothiazol-2-yl hydrosulfide, 53404-93-6, 5-chloro-2,3-dihydro-1,3-benzothiazole-2-thione, 5-CHLORO-2-MERCAPTOBENZOTHIAZINE, UNII-R9099U429R, NSC3934, Maybridge1_006216, SCHEMBL347929, 5-chloro-benzothiazol-2-thiol, SCHEMBL9125270, SCHEMBL9497675, CHEMBL1456330, DTXSID0022224, BDBM59826, cid_2723842, HMS559C12, NKYDKCVZNMNZCM-UHFFFAOYSA-, REGID_for_CID_2723842, HMS2502H14, WLN: T56 BN DSJ CSH HG, 5-Chloro-3H-benzothiazole-2-thione, SBB003526, STK396220, AKOS000120378, AKOS001260730, 5-CHLORO-BENZOTHIAZOLE-2-THIOL, AB00531, AC-4806, CS-W015535, FC15213, 5-chloro-3-hydrobenzothiazole-2-thione, NCGC00245945-01, NCGC00245945-02, AS-63163, ST012273, SY048666, 5-Chloro-1,3-benzothiazole-2(3H)-thione, 5-chloranyl-3H-1,3-benzothiazole-2-thione, EU-0002999, NS00001254, EN300-21446, F15179, AB00128201-12, AO-080/13265293, SR-01000414406, SR-01000414406-1, Q27287987, F0771-0819, Z104497390, 5-Chloro-2-mercaptobenzothiazole, technical grade, >=90%, InChI=1/C7H4ClNS2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)

5-Chloro-2-mercaptobenzothiazole serves as a key accelerator in rubber vulcanization processes, enhancing cross-linking efficiency. In corrosion science, it forms protective layers on metal surfaces, particularly in cooling systems. The compound’s thiol group makes it valuable for synthesizing heterocyclic compounds in pharmaceutical research. It also demonstrates biocidal properties in industrial water treatment applications.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (83.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (83.3%)

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