4-[(2-Furylmethyl)sulfanyl]-2-pentanone

Basic Information

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CAS Number

180031-78-1

Molecular Formula

C10H14O2S

Molecular Weight

198.29 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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CC(CC(=O)C)SCc1ccco1

InChI

InChI=1S/C10H14O2S/c1-8(11)6-9(2)13-7-10-4-3-5-12-10/h3-5,9H,6-7H2,1-2H3

InChIKey

IUNKNKANRUMCNL-UHFFFAOYSA-N

LogP

2.8804000000000016

Topological Polar Surface Area

30.21 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

170

Synonyms & References

English

2-Pentanone,4-[(2-furanylmethyl)thio]-
4-(furan-2-ylmethylsulfanyl)pentan-2-one
4-Furfurylthio-2-pentanone
4-Bran thio pentanone-2
4-Methyl-4-fufurylthio-2-pentanone
4-((2-FURANMETHYL)THIO)-2-PENTANONE
4-[(2-Furanylmethyl)thio]-2-pentanone

MDL Number

MFCD12911410

FAQ

What is 4-[(2-Furylmethyl)sulfanyl]-2-pentanone (CAS: 180031-78-1)?

4-[(2-Furylmethyl)sulfanyl]-2-pentanone is a chemical compound with the CAS number 180031-78-1. It is a yellow to orange crystalline powder with a molecular weight of approximately 207.17 g/mol. This compound is characterized by its aromatic and ketone functional groups, and it is soluble in organic solvents but insoluble in water.

What are the main uses of 4-[(2-Furylmethyl)sulfanyl]-2-pentanone (CAS: 180031-78-1)?

4-[(2-Furylmethyl)sulfanyl]-2-pentanone is primarily used in the pharmaceutical industry as a precursor for the synthesis of various bioactive compounds. It also finds applications in organic synthesis and as a reagent in chemical research.

Is 4-[(2-Furylmethyl)sulfanyl]-2-pentanone (CAS: 180031-78-1) safe?

4-[(2-Furylmethyl)sulfanyl]-2-pentanone is generally considered safe for laboratory use when handled with appropriate precautions. However, it is important to follow all safety guidelines, including wearing personal protective equipment (PPE) such as gloves and safety goggles. Ensure good ventilation and avoid inhalation or skin contact.

How should 4-[(2-Furylmethyl)sulfanyl]-2-pentanone (CAS: 180031-78-1) be stored?

4-[(2-Furylmethyl)sulfanyl]-2-pentanone should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. Store it at a temperature not exceeding 25°C to maintain its stability.