3-(Chloromethyl)tetrahydrothiophene 1,1-dioxide CAS 321971-80-6
| CAS No. | 321971-80-6 |
| Molecular Formula | C5H9ClO2S |
| Molecular Weight | 168.64 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-(Chloromethyl)tetrahydrothiophene 1,1-dioxide (CAS 321971-80-6) is a high-purity analytical reference standard with the molecular formula C5H9ClO2S and a molecular weight of 168.64 g/mol.
Owing to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, 3-(Chloromethyl)tetrahydrothiophene 1,1-dioxide is typically white to off-white crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 168.64 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
As a certified reference material (CRM), 3-(Chloromethyl)tetrahydrothiophene 1,1-dioxide meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C5H9ClO2S |
| Molecular Weight | 168.64 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 1.0 |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Sulfur Atoms | 1 |
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Recommended Standards
- 2-Ethylcyclopropane-1-sulfonyl chloride, mixture of diastereomers (CAS 927636-23-5)
- 3-Chloro-1-benzothiophene (CAS 7342-86-1)
- 4-chloro-1λ⁶-thiane-1,1-dione (CAS 38690-85-6)
- 1-Methylcyclobutane-1-sulfonyl chloride (CAS 2090155-98-7)
- 4-(Isoxazol-5-yl)thiophene-2-sulfonyl chloride (CAS 1060817-63-1)
- (S)-2-((2R,6R)-2,6-Dimethyltetrahydro-2H-pyran-4-yl)-2-((methoxycarbonyl)amino)acetic acid (CAS 1359976-83-2)
- 1-Hydroxyphenanthrene (CAS 2433-56-9)
- 1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic acid (CAS 5932-32-1)
- 2-Methyl-4-propoxyaniline (CAS 857007-46-6)
- Methyl (2S,4R)-4-(((benzyloxy)carbonyl)amino)pyrrolidine-2-carboxylate hydrochloride (CAS 1279026-84-4)
- Dotinurad Impurity 199 (CAS CATO-C4X-2494199)
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- (S)-2-((tert-Butoxycarbonyl)amino)-2-(3,4,5-trimethoxyphenyl)acetic acid (CAS 1241677-80-4)
- Semaglutide impurity 92 (CAS CATO-C4X-222692)
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