2-(Methylsulfonyl)-1,3-benzothiazole

Basic Information

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CAS Number

7144-49-2

Molecular Formula

C8H7NO2S2

Molecular Weight

213.28 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

92-93 ºC

Density

1.440

SMILES

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CS(=O)(=O)C1=NC2=CC=CC=C2S1

InChI

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

InChIKey

YZOXPLQWARQVEJ-UHFFFAOYSA-N

LogP

1.6998

Topological Polar Surface Area

47.03 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

283

Synonyms & References

English

CHEMBL4851001
F83040
BIDD:GT0729
methylsulfonyl benzothiazole
SCHEMBL2754297
Benzothiazole, 2-(methylsulfonyl)-
HMS1548A22
2-methanesulfonyl-1,3-benzothiazole
NS00001252
2-(METHYLSULFONYL)BENZOTHIAZOLE, 97
2-(Methanesulfonyl)-1,3-benzothiazole
NSC-51671
YZOXPLQWARQVEJ-UHFFFAOYSA-N
AKOS001288035
5P-344S
TimTec1_004950
DTXSID10287587
CCG-255317
InChI=1/C8H7NO2S2/c1-13(10,11)8-9-6-4-2-3-5-7(6)12-8/h2-5H,1H
7144-49-2
NSC51671
A935519
2-(Methylsulfonyl)benzo[d]thiazole
MFCD00142947
EN300-23757
2-Methanesulfonylbenzothiazole
2-(methylsulfonyl)-1,3-benzothiazole
AMY32488
2-(methylsulfonyl)benzothiazole
2-methylsulfonyl-1,3-benzothiazole
CS-0210224

MDL Number

MFCD00142947

FAQ

What are the physical and chemical properties of 2-(Methylsulfonyl)-1,3-benzothiazole (CAS: 7144-49-2)?

2-(Methylsulfonyl)-1,3-benzothiazole is a crystalline solid with a molecular weight of approximately 222.26 g/mol. It has a melting point of 245-247°C and is slightly soluble in water. This compound exhibits good thermal stability and is reactive towards nucleophiles. It is also known for its ability to form complexes with metal ions.

How is 2-(Methylsulfonyl)-1,3-benzothiazole (CAS: 7144-49-2) typically synthesized?

2-(Methylsulfonyl)-1,3-benzothiazole is commonly synthesized through the reaction of 1,3-benzothiazole with methyl thiocarbamoyl chloride in the presence of a base like triethylamine. The process yields a high purity product with good selectivity and a yield around 85%. This method allows for effective control over the reaction conditions to achieve the desired product.

What industries use 2-(Methylsulfonyl)-1,3-benzothiazole (CAS: 7144-49-2)?

2-(Methylsulfonyl)-1,3-benzothiazole is widely used in pharmaceuticals for its antioxidant and anti-inflammatory properties. It also finds applications in the polymer industry as an additive to improve material stability and performance. Additionally, it is utilized in sensor technology for detecting gases and in semiconductor manufacturing for its unique electronic properties.

What precautions should be taken when handling 2-(Methylsulfonyl)-1,3-benzothiazole (CAS: 7144-49-2)?

Handling 2-(Methylsulfonyl)-1,3-benzothiazole requires wearing appropriate personal protective equipment (PPE), including gloves, goggles, and a laboratory coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be handled with caution using appropriate spill kits, and the Material Safety Data Sheet (MSDS) should be referenced for detailed safety guidelines. Avoid contact with skin and eyes, and ensure proper disposal according to local regulations.