6-(Methylsulfonyl)-1,3-benzothiazole | CAS No. 304660-64-8

6-(Methylsulfonyl)-1,3-benzothiazole

Basic Information

CAS Number

304660-64-8

Molecular Formula

C8H7NO2S2

Molecular Weight

213.28 g/mol

AD

Basic Physical Properties

CS(=O)(=O)C1=CC2=C(C=C1)N=CS2

InChI

InChI=1S/C8H7NO2S2/c1-13(10,11)6-2-3-7-8(4-6)12-5-9-7/h2-5H,1H3

InChIKey

ZNXWTUYINKTBHA-UHFFFAOYSA-N

LogP

1.6998

Topological Polar Surface Area

47.03 Ų

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

283

Synonyms & References

English

  • Benzothiazole, 6-(methylsulfonyl)-
  • 6-(Methylsulfonyl)benzo[d]thiazole
  • 6-METHANESULFONYL-BENZOTHIAZOLE
  • 304660-64-8
  • SB36483
  • 6-METHANESULFONYL-1,3-BENZOTHIAZOLE
  • benzothiazole,6-(methylsulfonyl)-
  • 6-(Methanesulfonyl)-1,3-benzothiazole
  • SCHEMBL12157404
  • DTXSID60396875
  • 6-methylsulfonyl-1,3-benzothiazole
  • Benzothiazole,6-(methylsulfonyl)-
  • Benzothiazole, 6-(methylsulfonyl)- (9CI)

MDL Number

MFCD01961205

FAQ

What are the physical and chemical properties of 6-(Methylsulfonyl)-1,3-benzothiazole (CAS: 304660-64-8)?

6-(Methylsulfonyl)-1,3-benzothiazole is a crystalline solid with a molecular weight of approximately 224.26 g/mol. It has a limited water solubility and is soluble in common organic solvents. This compound shows moderate reactivity towards nucleophiles and can participate in electrophilic aromatic substitution reactions. It is stable under normal conditions but should be stored away from strong acids and bases.

How is 6-(Methylsulfonyl)-1,3-benzothiazole (CAS: 304660-64-8) typically synthesized?

6-(Methylsulfonyl)-1,3-benzothiazole can be synthesized through the reaction of methyl methanesulfonate with 1,3-benzothiazole. The reaction is typically carried out in an inert atmosphere using a molecular sieve as a drying agent. The yield is usually around 70-80%, and the reaction is selective for the desired product.

What industries use 6-(Methylsulfonyl)-1,3-benzothiazole (CAS: 304660-64-8)?

6-(Methylsulfonyl)-1,3-benzothiazole is used in the pharmaceutical industry as an intermediate for the synthesis of various drugs, particularly those targeting inflammatory and autoimmune diseases. It is also utilized in the polymer industry for the development of advanced materials. Additionally, it has applications in the field of sensors and semiconductors.

What precautions should be taken when handling 6-(Methylsulfonyl)-1,3-benzothiazole (CAS: 304660-64-8)?

Proper personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat should be worn when handling 6-(Methylsulfonyl)-1,3-benzothiazole. This compound should be stored in a fume hood or a well-ventilated area. In case of spillage, it should be cleaned up using appropriate absorbent materials. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.

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