Ethyl 4-cyano-3-iodo-5-(methylthio)thiophene-2-carboxylate CAS 861965-82-4
| CAS No. | 861965-82-4 |
| Molecular Formula | C9H8INO2S2 |
| Molecular Weight | 353.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), Ethyl 4-cyano-3-iodo-5-(methylthio)thiophene-2-carboxylate 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.
Ethyl 4-cyano-3-iodo-5-(methylthio)thiophene-2-carboxylate (CAS 861965-82-4), molecular formula C9H8INO2S2 and molecular weight 353.20 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Ethyl 4-cyano-3-iodo-5-(methylthio)thiophene-2-carboxylate (C9H8INO2S2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, iodine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 353.20 g/mol, it falls into the moderately-high-molecular-weight range. 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.
Physical & Chemical Properties
| Molecular Formula | C9H8INO2S2 |
| Molecular Weight | 353.20 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 2 |
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Recommended Standards
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- N1-(3,4-dichlorophenyl)-N3-(4-methoxyphenyl)malonamide (CAS 338392-26-0)
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- BENZYL (4-(BOC-AMINOMETHYL)PHENYL)CARBAMATE (CAS 326407-36-7)
- 2-(Piperidin-2-yl)-5-(trifluoromethyl)pyridine (CAS 1270471-09-4)
- 2-(2-Chloro-6-(chloromethyl)-4-(difluoromethyl)pyridin-3-yl)acetic acid (CAS 1805183-25-8)
- Ethyl 3-cyclopentyl-1,2,4-oxadiazole-5-carboxylate (CAS 1340441-65-7)
- 3-Methoxy-7-methylbenzofuran-2-carboxylic acid (CAS 1554430-92-0)
- CAS 175481-39-7(free base) (CAS 175481-39-7(free base))
- 2-(4-Ethoxyphenyl)-2-(piperidin-1-yl)ethan-1-amine (CAS 31466-52-1)
- 2-(Fluoromethyl)-6-iodo-4-methyl-3-(trifluoromethoxy)pyridine (CAS 1804834-20-5)
- Tau Peptide (245-274) (Repeat 1 Domain) trifluoroacetate salt (CAS 1428134-39-7)
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