3-(3-Chlorophenyl)-4-cyano-5-(methylthio)thiophene-2-carboxylic acid CAS 116493-00-6
| CAS No. | 116493-00-6 |
| Molecular Formula | C13H8ClNO2S2 |
| Molecular Weight | 309.79 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
3-(3-Chlorophenyl)-4-cyano-5-(methylthio)thiophene-2-carboxylic acid (CAS 116493-00-6), molecular formula C13H8ClNO2S2 and molecular weight 309.79 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution, 3-(3-Chlorophenyl)-4-cyano-5-(methylthio)thiophene-2-carboxylic acid is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 309.79 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C13H8ClNO2S2 |
| Molecular Weight | 309.79 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 2 |
Related Chlorophenyl Standards
- 1-(5-(4-Chlorophenyl)-2-methyl-1-phenyl-1H-pyrrol-3-yl)ethanone (CAS 100989-43-3)
- 4-(4-Chlorophenyl)-2-(cyclohexylamino)-4-oxobutanoic acid (CAS 1025101-05-6)
- 3-(4-Chlorophenyl)-4-cyano-5-(methylthio)thiophene-2-carboxylic acid (CAS 116525-66-7)
- 4-(3-Chlorophenyl)-6-(3,4-dimethylphenyl)pyrimidin-2-amine (CAS 1354927-09-5)
- 1-Boc-3-(3'-chlorophenyl)-piperidin-4-one (CAS 869720-07-0)
- 1-Boc-5-(3-chlorophenyl)piperidin-2-one (CAS 2006277-50-3)
- 2-((4-Chlorophenyl)sulfonyl)-3-(2-thienyl)prop-2-enenitrile (CAS 565216-92-4)
- 2-((4-Chlorophenyl)thio)-N-(4-fluorobenzyl)acetamide (CAS 882749-03-3)
Recommended Standards
- 2-(2,5-Dimethylphenyl)-3-methylquinoline-4-carbonyl chloride (CAS 1160264-98-1)
- 2-(4-Isopropylphenyl)quinoline-4-carbonyl chloride (CAS 1160264-73-2)
- tert-Butyl 2-(4-chlorobenzyl)-4-oxopiperidine-1-carboxylate (CAS 1282523-55-0)
- 2-(4-Propylphenyl)quinoline-4-carbonyl chloride (CAS 1160264-65-2)
- 3-Amino-4-hydroxy-5-phenylfuran-2(5H)-one (CAS 343945-84-6)
- 4-(((tert-Butoxycarbonyl)amino)methyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylic acid (CAS 2091419-29-1)
- 4-(Tert-butyl)-3-hydroxy-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid (CAS 1144484-03-6)
- 5-Bromo-1,3-dimethyl-4-nitro-1H-pyrazole (CAS 76689-62-8)
- 4-Ethyl-5-propyl-1H-pyrazol-3-amine (CAS 151521-84-5)
- Xanthanoic acid (CAS 82-07-5)
- Pyrazolo[1,5-a]pyridine-2-carbothioic acid amide (CAS 885275-04-7)
- 2-(5-Chloro-1,3,4-thiadiazol-2-yl)pyridine (CAS 76686-93-6)
- n-Methyl-1,2,3,4-tetrahydronaphthalen-2-amine (CAS 19485-85-9)
- Semaglutide Impurity 157 (x TFA Salt) (CAS CATO-C4X-2226157)
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