5-Chloro-1,3-Benzothiazole-2-Thiol
[CAS# 53404-93-6]

Identification

• Name: 5-Chloro-1,3-Benzothiazole-2-Thiol
• Synonyms: 2 (3H)-Benzothiazolethione, 5-chloro-; 2 (3H)-Benzothiazolethione, 5-chloro-, zinc salt; 2(3H)-Benzothiazolethione, 5-chloro- (9CI)
• Molecular Formula: C₇H₄ClNS₂
• Molecular Weight: 201.70
• CAS Registry Number: 53404-93-6
• SMILES: C1=CC2=C(C=C1Cl)N=C(S2)S
• InChI: 1S/C7H4ClNS2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)
• InChIKey: NKYDKCVZNMNZCM-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Melting point: 200°C (Expl.)
• Boiling point: 318.7±34.0°C at 760 mmHg (Cal.)
• Flash point: 146.5±25.7°C (Cal.)

Safety Data

• Safety Code: S26;S37
• Risk Code: R36/37/38
• Hazard Symbol: X
• Safety Description: WARNING: Irritates lungs, eyes, skin

References

• (1): Ghada J. CorbanPresent address: Inorganic Chemistry Laboratory, Department of Chemistry, College of Science, UAE University, 17551, Al Ain, United Arab Emirates., Sotiris K. Hadjikakou, Athanasios C. Tsipis, Maciej Kubicki, T. Bakas and Nick Hadjiliadis. Inhibition of peroxidase-catalyzed iodination by thioamides: experimental and theoretical study of the antithyroid activity of thioamides, New J. Chem., 2011, 35, 213.