CAS 13012-54-9

S-(3-Chloropropyl) ethanethioate

Description:

S-(3-Chloropropyl) ethanethioate, with the CAS number 13012-54-9, is an organosulfur compound characterized by the presence of a thioate functional group. This compound features a chloropropyl group attached to a thioester, which contributes to its reactivity and potential applications in organic synthesis. Typically, thioates exhibit properties similar to esters but with sulfur replacing the oxygen atom, leading to distinct chemical behavior. The presence of the chlorine atom in the chloropropyl moiety can enhance electrophilicity, making it useful in nucleophilic substitution reactions. S-(3-Chloropropyl) ethanethioate may also exhibit moderate volatility and solubility in organic solvents, which is common for thioate compounds. Its potential applications could span various fields, including agrochemicals and pharmaceuticals, where it may serve as an intermediate in the synthesis of more complex molecules. As with many organosulfur compounds, safety precautions should be observed due to potential toxicity and reactivity.

Formula: C₅H₉ClOS

InChI: InChI=1S/C5H9ClOS/c1-5(7)8-4-2-3-6/h2-4H2,1H3

InChI key: InChIKey=IOLUCUQNAZTKMN-UHFFFAOYSA-N

SMILES: S(CCCCl)C(C)=O

Synonyms:

• Ethanethioic acid, S-(3-chloropropyl) ester
• 1-Propanethiol, 3-chloro-, acetate
• NSC 163141
• Acetic acid, thio-, S-(3-chloropropyl) ester
• S-(3-Chloropropyl) ethanethioate

3-Chloropropyl thiolacetate

CAS: 13012-54-9

Formula: C₅H₉ClOS

Molecular weight: 152.6424

Ref: IN-DA000U1I

S-(3-Chloropropyl) ethanethioate

CAS: 13012-54-9

S-(3-Chloropropyl) ethanethioate

Purity: 90%

Molecular weight: 152.64g/mol

Ref: 54-OR1004198