CAS 28479-19-8

3-(Methylthio)phenyl isocyanate

Description:

3-(Methylthio)phenyl isocyanate, with the CAS number 28479-19-8, is an organic compound characterized by the presence of both isocyanate and methylthio functional groups. It features a phenyl ring substituted at the meta position with a methylthio group (-S-CH3) and an isocyanate group (-N=C=O). This compound is typically a colorless to pale yellow liquid with a pungent odor, indicative of the isocyanate functional group, which is known for its reactivity. 3-(Methylthio)phenyl isocyanate is used in various applications, including the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. It is important to handle this substance with care due to its potential toxicity and irritant properties, particularly to the skin and respiratory system. Proper safety measures, including the use of personal protective equipment, are essential when working with this compound in a laboratory or industrial setting.

Formula: C₈H₇NOS

InChI: InChI=1S/C8H7NOS/c1-11-8-4-2-3-7(5-8)9-6-10/h2-5H,1H3

InChI key: InChIKey=BKJABLMNBSVKCV-UHFFFAOYSA-N

SMILES: N(=C=O)C1=CC(SC)=CC=C1

Synonyms:

• 1-Isocyanato-3-(Methylsulfanyl)Benzene
• 1-Isocyanato-3-(methylthio)benzene
• 3-(Methylmercapto)phenyl isocyanate
• 3-(Methylsulfanyl)phenylisocyanate
• Benzene, 1-isocyanato-3-(methylthio)-
• Isocyanic acid, m-(methylthio)phenyl ester
• m-(Methylthio)phenyl isocyanate
• 3-(Methylthio)phenyl isocyanate

3-(Methylthio)phenyl isocyanate, 96%

CAS: 28479-19-8

3-(Methylthio)phenyl isocyanate is used as a coupling reagent, N-protecting reagent and as gas chromatography derivatizing reagent. This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy

Formula: C₈H₇NOS

Purity: 96%

Color and Shape: Clear colorless to yellow to green to pale brown, Liquid

Molecular weight: 165.22

Ref: 02-L12008

1-isocyanato-3-(methylsulfanyl)benzene

CAS: 28479-19-8

Formula: C₈H₇NOS

Purity: 96%

Molecular weight: 165.2123

Ref: IN-DA002VGI

3-(Methylthio)phenyl isocyanate

CAS: 28479-19-8

3-(Methylthio)phenyl isocyanate

Formula: C₈H₇NOS

Purity: ≥95%

Color and Shape: clear colourless liquid

Molecular weight: 165.21g/mol

Ref: 54-OR0659

3-(Methylthio)phenyl isocyanate

CAS: 28479-19-8

Formula: C₈H₇NOS

Purity: ≥95%

Molecular weight: 165.21

Ref: 10-F024309