5-(2-Methyl-2-propanyl)-1-benzothiophene

Basic Information

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CAS Number

17515-00-3

Molecular Formula

C12H14S

Molecular Weight

190.31 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

276.2±9.0 °C(Predicted)

Density

1.058±0.06 g/cm3(Predicted)

SMILES

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CC(C)(C)c1cc2ccsc2cc1

InChI

InChI=1S/C12H14S/c1-12(2,3)10-4-5-11-9(8-10)6-7-13-11/h4-8H,1-3H3

InChIKey

PIEDRQBNWAWCDI-UHFFFAOYSA-N

LogP

4.198800000000003

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Synonyms & References

English

5-tert-butylbenzo[b]thiophene
Benzo[b]thiophene, 5-(1,1-dimethylethyl)-

MDL Number

MFCD18451788

FAQ

What is 5-(2-Methyl-2-propanyl)-1-benzothiophene (CAS: 17515-00-3)?

5-(2-Methyl-2-propanyl)-1-benzothiophene (CAS: 17515-00-3) is a heterocyclic organic compound with a thiophene ring fused to a benzene ring. It is commonly used in the synthesis of pharmaceuticals and as an intermediate in chemical manufacturing. This compound has a molecular formula of C11H13S and exhibits aromatic properties.

What are the main uses of 5-(2-Methyl-2-propanyl)-1-benzothiophene (CAS: 17515-00-3)?

5-(2-Methyl-2-propanyl)-1-benzothiophene (CAS: 17515-00-3) is primarily used as an intermediate in the synthesis of pharmaceuticals, particularly in the development of analgesics and anti-inflammatory drugs. It is also utilized in the production of dyes and in chemical research for its unique properties.

Is 5-(2-Methyl-2-propanyl)-1-benzothiophene (CAS: 17515-00-3) safe?

5-(2-Methyl-2-propanyl)-1-benzothiophene (CAS: 17515-00-3) is generally safe when handled properly. However, it is important to follow safety guidelines including wearing appropriate protective equipment, such as gloves and goggles, to avoid skin and eye contact. Do not inhale the vapor or allow it to come into contact with skin or eyes.

How should 5-(2-Methyl-2-propanyl)-1-benzothiophene (CAS: 17515-00-3) be stored?

5-(2-Methyl-2-propanyl)-1-benzothiophene (CAS: 17515-00-3) should be stored in a cool, dry place away from direct sunlight and heat. It should be kept in a tightly closed container made of appropriate materials, such as glass or metal, to prevent exposure to air and moisture. Store at room temperature (15-25°C) and avoid temperatures above 30°C to maintain its stability.