CAS 52069-55-3

2-[(Cyanomethyl)thio]acetyl chloride

Description:

2-[(Cyanomethyl)thio]acetyl chloride, with the CAS number 52069-55-3, is an organic compound characterized by its functional groups, including an acetyl chloride moiety and a cyanomethylthio group. This compound typically appears as a colorless to pale yellow liquid and is known for its reactivity, particularly due to the presence of the acetyl chloride group, which can readily participate in acylation reactions. It is soluble in organic solvents such as dichloromethane and ether but is generally not soluble in water. The compound is used in organic synthesis, particularly in the preparation of thioesters and other derivatives. Its reactivity with nucleophiles makes it a valuable intermediate in the synthesis of various chemical entities. However, it should be handled with care due to its potential to release hydrochloric acid upon hydrolysis and its toxic nature. Proper safety precautions, including the use of personal protective equipment and working in a well-ventilated area or fume hood, are essential when working with this substance.

Formula: C₄H₄ClNOS

InChI: InChI=1S/C4H4ClNOS/c5-4(7)3-8-2-1-6/h2-3H2

InChI key: InChIKey=JRGRABSYRWMJPN-UHFFFAOYSA-N

SMILES: C(SCC#N)C(Cl)=O

Synonyms:

• 2-[(Cyanomethyl)thio]acetyl chloride
• Acetyl chloride, 2-[(cyanomethyl)thio]-
• (Cyanomethylthio)acetyl chloride
• Acetyl chloride, [(cyanomethyl)thio]-
• (Cyanomethyl)sulfanyl]acetyl chloride
• Cefmetazole Impurity 34

Cefmetazole Impurity 21

CAS: 52069-55-3

Formula: C₄H₄ClNOS

Molecular weight: 149.59

Ref: 4Z-C-126028