Methyl 3-amino-4-((4-chlorophenyl)sulfonyl)-5-(methylthio)thiophene-2-carboxylate CAS 845266-18-4
| CAS No. | 845266-18-4 |
| Molecular Formula | C13H12ClNO4S3 |
| Molecular Weight | 377.89 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Methyl 3-amino-4-((4-chlorophenyl)sulfonyl)-5-(methylthio)thiophene-2-carboxylate.
Methyl 3-amino-4-((4-chlorophenyl)sulfonyl)-5-(methylthio)thiophene-2-carboxylate (CAS 845266-18-4), molecular formula C13H12ClNO4S3 and molecular weight 377.89 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C13H12ClNO4S3, Methyl 3-amino-4-((4-chlorophenyl)sulfonyl)-5-(methylthio)thiophene-2-carboxylate contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 377.89 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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.
Physical & Chemical Properties
| Molecular Formula | C13H12ClNO4S3 |
| Molecular Weight | 377.89 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 3 |
Related Methyl Standards
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Recommended Standards
- Ethyl 2-(2-chlorobenzamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (CAS 312949-43-2)
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- 4-Chloro-N-(5,6-dimethyl-1-propyl-1H-1,3-benzodiazol-4-yl)benzene-1-sulfonamide (CAS 338423-73-7)
- 2-(4,5-Diiodo-1H-imidazol-1-yl)acetic acid (CAS 1189749-30-1)
- N-Methoxy-N,2-dimethylthiazole-4-carboxamide (CAS 721455-02-3)
- 1-[4-(3-Methylpiperidin-1-yl)phenyl]methanamine (CAS 486437-66-5)
- 2-Bromo-4-hydroxy-6-(trifluoromethyl)pyridine (CAS 1211535-77-1)
- 1-(3,4-Dimethoxyphenyl)-5-propyl-1H-1,2,3-triazole-4-carboxylic acid (CAS 1329918-25-3)
- Ambroxol Impurity 41 (CAS CATO-C4X-108541)
- tert-Butyl(5-chloro-2-fluorophenoxy)dimethylsilane (CAS 1881296-20-3)
- 4-Cyanophenyl 4-methylbenzoate (CAS 32792-42-0)
- 1-(2,4-Difluorophenyl)-2-(methylthio)ethan-1-one (CAS 192862-10-5)
- 2-(2H-benzo[d][1,2,3]triazol-2-yl)ethan-1-ol (CAS 939-72-0)
- Peptide 434 (CAS CATO-CPTD788434)
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