(5-Thioxo-2,5-dihydro-1H-tetrazol-1-yl)methanesulfonic acid | CAS No. 67146-22-9

(5-Thioxo-2,5-dihydro-1H-tetrazol-1-yl)methanesulfonic acid

Basic Information

CAS Number

67146-22-9

Molecular Formula

C2H4N4O3S2

Molecular Weight

196.21 g/mol

AD

Basic Physical Properties

Melting Point

155-158 ºC

Density

2.24

Refractive Index

1.887

C(N1C(=S)N=NN1)S(=O)(=O)O

InChI

InChI=1S/C2H4N4O3S2/c7-11(8,9)1-6-2(10)3-4-5-6/h1H2,(H,3,5,10)(H,7,8,9)

InChIKey

NLDLXEAUMGUSPX-UHFFFAOYSA-N

LogP

-0.81901

Topological Polar Surface Area

100.87 Ų

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

289

Synonyms & References

English

  • NS00053372
  • AKOS006344002
  • 5-Mercaptotetrazole-1-methanesulphonic acid
  • (5-sulfanylidene-2H-tetrazol-1-yl)methanesulfonic acid
  • 1H-Tetrazole-1-methanesulfonicacid, 2,5-dihydro-5-thioxo-
  • AC-7600
  • (5-Sulfanyl-1H-tetrazol-1-yl)methanesulfonic acid
  • SCHEMBL20816393
  • NLDLXEAUMGUSPX-UHFFFAOYSA-N
  • DTXSID60867217
  • 5-Mercapto-1,2,3,4-tetrazole-1-methylsulfonic acid
  • EINECS 266-586-7
  • 5-Mercapto-1,2,3,4-Tetrazole-1-Methyl Sulfonic Acid
  • 5-Mercapto-1,2,3,4-Tetrazole-1-methyl Sulfonic Acid(SMT)
  • W-104728
  • 1-sulfomethyltetrazole-5-thiol
  • 67146-22-9
  • FT-0641105
  • 2,5-Dihydro-5-thioxo-1H-tetrazole-1-methanesulphonic acid
  • (5-mercapto-1H-tetrazol-1-yl)methanesulfonic acid
  • D87656
  • SCHEMBL828830
  • (5-sulfanylidene-2,5-dihydro-1H-1,2,3,4-tetrazol-1-yl)methanesulfonic acid
  • SMT
  • 5-MERCAPTO-1,2,3,4-TETRAZOLE-1-METHYL SULFONIC ACID (SMT)
  • 5-Mercapto-1H-tetrazole-1-methanesulfonic acid
  • 1-sulfomethyl-5-mercapto-1H-tetrazole
  • 5-mercaptetrazolemethane sulfonic acid
  • 5-Mercapto-1H-tetrazole-1-methane sulphonic acid
  • 1-Sulfomethyl-5-mercapto-1,2,3,4-tetrazole
  • 5-Mercapto-1-tetrazolemethanesulfonic acid

MDL Number

MFCD00129974

FAQ

What are the physical and chemical properties of (5-Thioxo-2,5-dihydro-1H-tetrazol-1-yl)methanesulfonic acid (CAS: 67146-22-9)?

This compound is a crystalline solid with a molecular weight of approximately 238.27 g/mol. It has a pKa of about 1.5, indicating strong acidity. The compound is soluble in water and organic solvents. It reacts readily with bases to form tetrazolium salts. It is also known for its reactivity towards nucleophiles and its use in various chemical transformations.

How is (5-Thioxo-2,5-dihydro-1H-tetrazol-1-yl)methanesulfonic acid (CAS: 67146-22-9) typically synthesized?

This compound is often synthesized through the reaction of methanesulfonic acid with 5-thioxo-2,5-dihydro-1H-tetrazole. Common methods include the direct sulfonation of the tetrazole ring, followed by crystallization from an appropriate solvent. Typically, the reaction requires a mild heating and is performed under an inert atmosphere to prevent oxidation.

What industries use (5-Thioxo-2,5-dihydro-1H-tetrazol-1-yl)methanesulfonic acid (CAS: 67146-22-9)?

This compound is widely used in the pharmaceutical industry for the synthesis of drug intermediates. It is also utilized in the development of sensors and in semiconductor manufacturing processes, particularly in the etching and cleaning steps. Additionally, it plays a role in polymer chemistry and the production of functional materials.

What precautions should be taken when handling (5-Thioxo-2,5-dihydro-1H-tetrazol-1-yl)methanesulfonic acid (CAS: 67146-22-9)?

When handling this compound, it is essential to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, it should be immediately contained and disposed of according to the Material Safety Data Sheet (MSDS/SDS) guidelines. Always ensure adequate ventilation and avoid contact with skin and eyes.

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