Description

S-Prop-2-en-1-yl carbonochloridothioate (CAS No. 42068-67-7) is a specialized organosulfur compound with the molecular formula C₄H₅ClOS. This high-purity reagent is widely utilized in synthetic organic chemistry and pharmaceutical research due to its reactive thioester and chloro functional groups. The IUPAC name for this compound is S-prop-2-enyl chloromethanethioate, and it is characterized by its clear to pale yellow liquid appearance under standard conditions. With a molecular weight of 136.60 g/mol, this compound is highly reactive and should be handled with care under controlled environments. It is commonly employed as a key intermediate in the synthesis of more complex sulfur-containing molecules, including potential agrochemicals and bioactive compounds. Our product is rigorously tested for purity and stability, ensuring consistent performance in demanding laboratory applications. Store in a cool, dry place away from moisture and incompatible materials.

Properties

• CAS Number: 42068-67-7
• Complexity: 81.8
• IUPAC Name: S-allyl chloromethanethioate
• InChI: InChI=1S/C4H5ClOS/c1-2-3-7-4(5)6/h2H,1,3H2
• InChI Key: GVJDDYZUVPXWDW-UHFFFAOYSA-N
• Exact Mass: 135.9749636
• Molecular Formula: C4H5ClOS
• Molecular Weight: 136.60
• SMILES: C=CCSC(=O)Cl
• Topological: 42.4
• Monoisotopic Mass: 135.9749636
• Synonyms: 42068-67-7, DTXSID50535357, S-Prop-2-en-1-yl carbonochloridothioate, DTXCID80486146, S-2-PROPEN-1-YL ESTER CARBONOCHLORIDOTHIOIC ACID, S-prop-2-enyl chloromethanethioate, chloromethanethioic acid S-prop-2-enyl ester, S-allyl carbonochloridothioate, SCHEMBL774687, GVJDDYZUVPXWDW-UHFFFAOYSA-N, AKOS006307119, DB-256053

Application

S-Prop-2-en-1-yl carbonochloridothioate serves as a versatile building block in organic synthesis, particularly in the preparation of sulfur-containing heterocycles. Researchers utilize this compound in the development of novel thioester derivatives for pharmaceutical and material science applications. Its reactive chloro and thioester groups make it valuable for cross-coupling reactions and polymer chemistry. The compound is also investigated for potential use in agrochemical synthesis due to its ability to modify biological activity in target molecules.

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