4-(3-Thioxo-3H-1,2-dithiol-4-yl)benzoic acid CAS 127588-56-1
| CAS No. | 127588-56-1 |
| Molecular Formula | C10H6O2S3 |
| Molecular Weight | 254.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system, 4-(3-Thioxo-3H-1,2-dithiol-4-yl)benzoic acid is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 254.35 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
CATO supplies 4-(3-Thioxo-3H-1,2-dithiol-4-yl)benzoic acid (CAS 127588-56-1), a certified reference material (molecular formula C10H6O2S3, MW 254.35 g/mol) for analytical method development and quality control.
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), 4-(3-Thioxo-3H-1,2-dithiol-4-yl)benzoic acid 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 | C10H6O2S3 |
| Molecular Weight | 254.35 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1993 |
| Sulfur Atoms | 3 |
Related Thioxo Standards
- 2-Thioxo-3-thiazolidinecarboxylic Acid Benzyl Ester (CAS 74058-68-7)
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- 3-Thioxo-3,5-dihydrophenazine-1-carboxylic acid (CAS 1235077-57-2)
- 7-Phenyl-2-thioxo-2,3-dihydropteridin-4(1H)-one (CAS 705287-02-1)
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- 2-((5-Thioxo-4,5-dihydro-1,3,4-thiadiazol-2-yl)thio)ethanesulfonic acid (CAS 89723-74-0)
Recommended Standards
- 1243025-05-9 1-(2-Methylbenzyl)-1,5-dihydro-4H-pyrrolo[3,2-c]pyridine-4-thione MFCD15732091 (CAS 1243025-05-9)
- 5-Benzyl-4,6-dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile (CAS 128917-85-1)
- 1242927-85-0 1-(4-Methylbenzyl)-1,5-dihydro-4H-pyrrolo[3,2-c]pyridine-4-thione MFCD15732090 (CAS 1242927-85-0)
- 2-(3-Aminopiperidin-1-yl)-N-(4-methylthiazol-2-yl)acetamide (CAS 1306229-32-2)
- 4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]benzoic acid (CAS 328038-27-3)
- 1,1'-(Ethene-1,1-diyl)dipiperidine (CAS 42259-31-4)
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- Tau Peptide (301-315) trifluoroacetate salt (CAS 330456-48-9)
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