Description

3-(Methylsulfanyl)propyl methanesulfonate (CAS No. 232944-38-6) is a high-purity sulfonate ester with the molecular formula C₅H₁₂O₃S₂. This specialized chemical is widely utilized in organic synthesis, pharmaceutical research, and material science due to its reactive methanesulfonate (mesylate) group and methylthio functionality. The compound is rigorously tested for quality, ensuring optimal performance in nucleophilic substitution reactions, cross-coupling processes, and as a versatile alkylating agent. Its stability and solubility in common organic solvents make it a valuable reagent for laboratory and industrial applications. Available in various quantities with detailed analytical data (GC/HPLC, NMR) for verification.

Properties

• CAS Number: 232944-38-6
• Complexity: 156
• IUPAC Name: 3-methylsulfanylpropyl methanesulfonate
• InChI: InChI=1S/C5H12O3S2/c1-9-5-3-4-8-10(2,6)7/h3-5H2,1-2H3
• InChI Key: JJRYDZAYWWFTQA-UHFFFAOYSA-N
• Exact Mass: 184.02278659
• Molecular Formula: C5H12O3S2
• Molecular Weight: 184.3
• SMILES: CSCCCOS(=O)(=O)C
• Topological: 77.1
• Monoisotopic Mass: 184.02278659
• Synonyms: 232944-38-6, 3-(METHYLSULFANYL)PROPYL METHANESULFONATE, 843-259-2, 3-(methylthio)propyl (methanesulfonate), 3-(methylthio)propyl methanesulfonate, 3-methylsulfanylpropyl methanesulfonate, 3-(methylthio)propyl(methanesulfonate), MFCD18642727, SCHEMBL662854, JJRYDZAYWWFTQA-UHFFFAOYSA-N, 3-methylthiopropyl methanesulfonate, CS-M0564, AKOS006371292, CS-13657, DB-228392, C11627, EN300-7116758

Application

3-(Methylsulfanyl)propyl methanesulfonate serves as a key intermediate in the synthesis of sulfur-containing pharmaceuticals and agrochemicals. It is employed in nucleophilic substitution reactions to introduce the 3-(methylthio)propyl moiety into target molecules. Researchers also utilize it in polymer modification and ligand design due to its dual functional groups. Its reactivity under mild conditions makes it suitable for sensitive synthetic pathways.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (100%)
• STOT SE 3 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.