1-Isothiocyanato-4-[(S)-methylsulfinyl]butane | CAS No. 155320-20-0

1-Isothiocyanato-4-[(S)-methylsulfinyl]butane

Basic Information

CAS Number

155320-20-0

Molecular Formula

C6H11NOS2

Molecular Weight

177.29 g/mol

AD

Basic Physical Properties

C[S@](=O)CCCCN=C=S

InChI

InChI=1S/C6H11NOS2/c1-10(8)5-3-2-4-7-6-9/h2-5H2,1H3/t10-/m0/s1

InChIKey

SUVMJBTUFCVSAD-JTQLQIEISA-N

LogP

1.2479

Topological Polar Surface Area

29.43 Ų

Hydrogen Bond Donor/Acceptor

0 / 2

Synonyms & References

English

  • (S)-Sulforaphane
  • 1-isothiocyanato-4-[(S)-methylsulfinyl]butane
  • (-)1-Isothiocyanato-4R-methylsulfinyl)butane
  • (-)-Sulphoraphan
  • (+)-Sulforaphane
  • (R)-(4-Isothiocyanato-butyl)-methyl-sulfoxid
  • (R)-4-methanesulfinyl-butyl isothiocyanate
  • (R)-4-Methansulfinyl-butylisothiocyanat
  • (S)-4-Methansulfinyl-butylisothiocyanat
  • Butane,1-isothiocyanato-4-((S)-methylsulfinyl)
  • Sulforaphane,(S)

MDL Number

MFCD09750030

FAQ

What regulatory guidelines apply to 1-Isothiocyanato-4-[(S)-methylsulfinyl]butane (CAS: 155320-20-0)?

1-Isothiocyanato-4-[(S)-methylsulfinyl]butane (CAS: 155320-20-0) should comply with the GHS classification for physical hazards and toxicity. For EU regulations, it must adhere to the REACH directive. In the US, FDA and EPA may require specific documentation for its handling and disposal. It is crucial to follow local and international safety standards and guidelines for its manufacturing and use.

Are there alternatives to 1-Isothiocyanato-4-[(S)-methylsulfinyl]butane (CAS: 155320-20-0) in synthesis?

There are alternative reagents that can be used in place of 1-Isothiocyanato-4-[(S)-methylsulfinyl]butane (CAS: 155320-20-0) depending on the specific synthetic pathway. For example, other thioisocyanates or related sulfur-containing compounds might serve as substitutes. It is important to evaluate the availability, cost, and reactivity of these alternatives for optimal synthesis.

What is the market or research trend for 1-Isothiocyanato-4-[(S)-methylsulfinyl]butane (CAS: 155320-20-0)?

The market for 1-Isothiocyanato-4-[(S)-methylsulfinyl]butane (CAS: 155320-20-0) is primarily driven by its applications in pharmaceuticals and materials science. Research trends are focusing on its potential as a functional monomer and for use in drug delivery systems. Market dynamics suggest an increasing demand due to its unique chemical properties and expanding research areas.

How should waste containing 1-Isothiocyanato-4-[(S)-methylsulfinyl]butane (CAS: 155320-20-0) be handled?

Waste containing 1-Isothiocyanato-4-[(S)-methylsulfinyl]butane (CAS: 155320-20-0) should be collected in appropriate containers and stored in a well-ventilated area. Incineration or professional waste disposal services are recommended for safe disposal. Ensure all safety precautions are followed and proper documentation is provided to comply with regulatory requirements for hazardous waste disposal.

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