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Sodium 3-(1,3-benzothiazol-2-ylsulfanyl)-1-propanesulfonate(CAS: 49625-94-7)

Sodium 3-(1,3-benzothiazol-2-ylsulfanyl)-1-propanesulfonate
CAS Number

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Basic Information

Molecular Formula
C10H10NNaO3S3
Molecular Weight
311.4 g/mol

Physical Properties

Melting Point
≥320 °C (dec.)
Boiling Point
No data available

Chemical Identifiers

SMILES
C1=CC=C2C(=C1)N=C(S2)SCCCS(=O)(=O)[O-].[Na+]
InChIKey
VRKNGZAPJYUNSN-UHFFFAOYSA-M

Database References

MDL Number
MFCD00043131

FAQ

Sodium 3-(1,3-benzothiazol-2-ylsulfanyl)-1-propanesulfonate is a white crystalline solid with a molecular weight of approximately 326.36 g/mol. It is moderately soluble in water and organic solvents. The compound is stable under normal conditions but reacts with strong acids to release hydrogen sulfide. It has a pKa of around 3.5 and exhibits good solubility in alcohols and dimethylformamide.
Sodium 3-(1,3-benzothiazol-2-ylsulfanyl)-1-propanesulfonate is synthesized through the reaction of 3-(1,3-benzothiazol-2-ylsulfanyl)-1-propanesulfonic acid with sodium hydroxide. The synthesis involves condensation of benzothiazole and propyl sulfonic acid, followed by neutralization with sodium hydroxide. The reaction is typically carried out in an aqueous solvent and yields high purity product with >95% selectivity and >90% yield.
Sodium 3-(1,3-benzothiazol-2-ylsulfanyl)-1-propanesulfonate is used in the pharmaceutical industry for the synthesis of certain drugs. It is also utilized in the polymer industry as a stabilizer and in the production of sensors for detecting sulfur dioxide. Additionally, it finds applications in the semiconductor industry as a dopant.
When handling Sodium 3-(1,3-benzothiazol-2-ylsulfanyl)-1-propanesulfonate, it is essential to use personal protective equipment (PPE) including gloves, safety goggles, and a lab coat. Ensure proper ventilation in the work area and use a fume hood during handling. Spills should be cleaned up with caution using absorbent materials and proper disposal methods. Always consult the Safety Data Sheet (SDS) for detailed safety information.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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