CAS 5219-61-4

2-(Phenylthio)acetonitrile

Description:

2-(Phenylthio)acetonitrile, with the CAS number 5219-61-4, is an organic compound characterized by the presence of both a nitrile group and a phenylthio moiety. It features a two-carbon chain with a nitrile functional group (-C≡N) at one end and a phenylthio group (-SPh) attached to the adjacent carbon. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is known for its utility in organic synthesis, particularly in the preparation of various pharmaceuticals and agrochemicals. The presence of the phenylthio group can enhance the compound's reactivity and solubility in organic solvents. Additionally, 2-(Phenylthio)acetonitrile may exhibit specific biological activities, making it of interest in medicinal chemistry. As with many nitriles, it should be handled with care due to potential toxicity and the need for appropriate safety measures during use and disposal.

Formula: C₈H₇NS

InChI: InChI=1S/C8H7NS/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,7H2

InChI key: InChIKey=QMJWPWCKRKHUNY-UHFFFAOYSA-N

SMILES: S(CC#N)C1=CC=CC=C1

Synonyms:

• (Phenylsulfanyl)Acetonitrile
• 2-(Phenylsulfanyl)acetonitrile
• 2-(Phenylthio)acetonitrile
• Acetonitrile, (phenylthio)-
• Acetonitrile, 2-(phenylthio)-
• Cyanomethyl phenyl sulfide
• Phenylthioacetonitrile
• (Phenylthio)acetonitrile

(Phenylthio)acetonitrile

CAS: 5219-61-4

Formula: C₈H₇NS

Purity: >98.0%(GC)

Color and Shape: Colorless to Yellow to Green clear liquid

Molecular weight: 149.21

Ref: 3B-P1602

(Phenylthio)acetonitrile, 98%

CAS: 5219-61-4

Applications include, electron-deficient aromatics undergo vicarious nucleophilic substitution (VNS) reactions with the anion. Thus the molecule is equivalent to an acetonitrile anion synthon with thiophenate as the leaving group. For example, in the presence of solid NaOH in DMSO, nitrobenzene give

Purity: 98%

Color and Shape: Clear colorless to pale yellow, Liquid

Ref: 02-A12869

PHENYLTHIOACETONITRILE

CAS: 5219-61-4

Formula: C₈H₇NS

Purity: 98%

Color and Shape: Liquid

Molecular weight: 149.2129

Ref: IN-DA003TQA

2-(Phenylthio)acetonitrile

CAS: 5219-61-4

2-(Phenylthio)acetonitrile

Purity: ≥95%

Molecular weight: 149.21288g/mol

Ref: 54-OR30082

Phenylthioacetonitrile

CAS: 5219-61-4

Formula: C₈H₇NS

Purity: 98%

Color and Shape: Liquid, Clear

Molecular weight: 149.21

Ref: 10-F003773