Description

Thiomorpholine 1,1-dioxide hydrochloride (CAS No. 59801-62-6) is a high-purity organic compound with the molecular formula C₄H₁₀ClNO₂S. This white to off-white crystalline powder is a hydrochloride salt derivative of thiomorpholine dioxide, offering excellent stability and solubility for research applications. With an IUPAC name of 1,4-thiazinane 1,1-dioxide;hydrochloride, this reagent is meticulously synthesized and purified to meet stringent laboratory standards (typically ≥95% purity by HPLC). Ideal for pharmaceutical intermediates, heterocyclic chemistry studies, and sulfone/sulfoxide research. Packaged under inert atmosphere in amber glass vials to ensure long-term stability. Suitable for use in medicinal chemistry, catalysis studies, and as a building block for more complex sulfur-containing compounds.

Key Attributes:
– Molecular Weight: 171.65 g/mol
– Exact Mass: 171.0129
– Storage: Room temperature, desiccated
– Hazard Codes: Xi (Irritant)
– Safety: Use with proper PPE in well-ventilated areas

Properties

• CAS Number: 59801-62-6
• Complexity: 143
• IUPAC Name: 1,4-thiazinane 1,1-dioxide;hydrochloride
• InChI: InChI=1S/C4H9NO2S.ClH/c6-8(7)3-1-5-2-4-8;/h5H,1-4H2;1H
• InChI Key: UOMTVKMKHZMFMQ-UHFFFAOYSA-N
• Exact Mass: 171.0120774
• Molecular Formula: C4H10ClNO2S
• Molecular Weight: 171.65
• SMILES: C1CS(=O)(=O)CCN1.Cl
• Topological: 54.6
• Monoisotopic Mass: 171.0120774
• Synonyms: Thiomorpholine 1,1-dioxide hydrochloride, 807-833-6, 59801-62-6, THIOMORPHOLINE-1,1-DIOXIDE HYDROCHLORIDE, Thiomorpholine-1,1-dioxide HCl, Thiomorpholine-1,1-oxide hydrochloride, Thiomorpholine 1,1-dioxide HCl, MFCD06738995, 1,4-thiazinane 1,1-dioxide;hydrochloride, THIOMORPHOLINE 1,1-DIOXIDE, HCL, 1,4-thiazaperhydroine-1,1-dione, chloride, Thiomorpholine, 1,1-dioxide, hydrochloride, dioxide hydrochloride, Thiomorpholine-1,1-, SCHEMBL1002624, DTXSID70489121, UOMTVKMKHZMFMQ-UHFFFAOYSA-N, SBB056140, Thiomorpholine1,1-dioxidehydrochloride, 1,1-dioxo-thio-morpholinehydrochloride, 1,1-dioxo-thiomorpholine hydrochloride, AKOS005259675, S,S-dioxidothiomorpholine hydrochloride, thiomorpholine-1,1-dione hydrochloride, AC-8258, CS-W005419, PB21955, AS-11115, SY025546, DB-053465, 1,1-DIOXOTHIOMORPHOLINE HYDROCHLORIDE, ST50950088, Thiomorpholine 1,1-dioxide monohydrochloride, EN300-67050, 1lambda6-thiomorpholine-1,1-dione hydrochloride, Z1263529638, 1lambda~6~,4-Thiazinane-1,1-dione–hydrogen chloride (1/1)

Application

Thiomorpholine 1,1-dioxide hydrochloride serves as a versatile intermediate in organic synthesis, particularly for constructing sulfur-containing heterocycles. Researchers utilize this compound in medicinal chemistry for developing novel pharmacophores with potential CNS activity. The sulfone moiety makes it valuable for studying enzyme inhibition mechanisms and designing protease inhibitors. In materials science, it functions as a precursor for sulfonated polymers with unique electronic properties.

Safety and Hazards

GHS Hazard Statements

• H302 (27.3%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (27.3%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (27.3%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (27.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (27.3%): 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 (27.3%)
• Acute Tox. 4 (27.3%)
• Skin Irrit. 2 (27.3%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (27.3%)
• STOT SE 3 (27.3%)

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