CAS 870532-87-9

Methyl 4-cyano-4-[[(dodecylthio)thioxomethyl]thio]pentanoate

Description:

Methyl 4-cyano-4-[[(dodecylthio)thioxomethyl]thio]pentanoate is a chemical compound characterized by its complex structure, which includes a cyano group, a thioether linkage, and an ester functional group. The presence of the dodecylthio group indicates that it has a long hydrophobic alkyl chain, which can influence its solubility and interaction with biological membranes. The thioxomethyl moiety suggests potential reactivity, particularly in nucleophilic substitution reactions. This compound may exhibit properties typical of both thioesters and nitriles, such as potential toxicity and reactivity under certain conditions. Its molecular structure implies that it could be used in various applications, including as a surfactant, in organic synthesis, or in materials science. However, specific physical properties such as melting point, boiling point, and solubility would need to be determined experimentally, as they are not universally defined for all compounds. Safety data should also be consulted due to the presence of potentially hazardous functional groups.

Formula: C₂₀H₃₅NO₂S₃

InChI: InChI=1S/C20H35NO2S3/c1-4-5-6-7-8-9-10-11-12-13-16-25-19(24)26-20(2,17-21)15-14-18(22)23-3/h4-16H2,1-3H3

InChI key: InChIKey=SDIPWHBLCNZSEW-UHFFFAOYSA-N

SMILES: C(SC(SCCCCCCCCCCCC)=S)(CCC(OC)=O)(C#N)C

Synonyms:

• Methyl 4-Cyano-4-[(dodecylsulfanylthiocarbonyl)sulfanyl]pentanoate
• BM 1448
• Methyl 4-cyano-4-[[(dodecylthio)thioxomethyl]thio]pentanoate
• Pentanoic acid, 4-cyano-4-[[(dodecylthio)thioxomethyl]thio]-, methyl ester
• Methyl 4-cyano-4-(dodecylthiocarbonothioylthio)pentanoate

Methyl 4-cyano-4-(dodecylthiocarbonothioylthio)pentanoate

CAS: 870532-87-9

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Formula: C₂₀H₃₅NO₂S₃

Purity: Min. 95%

Molecular weight: 417.7 g/mol

Ref: 3D-VJB53287