Methyl 4-(3-methylisothiazol-5-yl)benzoate CAS 39101-02-5
| CAS No. | 39101-02-5 |
| Molecular Formula | C12H11NO2S |
| Molecular Weight | 233.29 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.
CATO supplies Methyl 4-(3-methylisothiazol-5-yl)benzoate (CAS 39101-02-5), a certified reference material (molecular formula C12H11NO2S, MW 233.29 g/mol) for analytical method development and quality control.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, Methyl 4-(3-methylisothiazol-5-yl)benzoate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 233.29 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C12H11NO2S |
| Molecular Weight | 233.29 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.) | 1968 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Methyl Standards
- N-(3-(3-methylisothiazol-5-yl)phenyl)acetamide (CAS 1401521-98-9)
- 2-(3-Methylisothiazol-5-yl)isoindole-1,3-dione (CAS 1258841-00-7)
- 4-(3-Methylisothiazol-5-yl)benzoic acid (CAS 1261236-29-6)
- 2-(3-Methylisothiazol-5-yl)benzoic acid (CAS 1401521-94-5)
- 3-(3-Methylisothiazol-5-yl)benzoic acid (CAS 1401522-26-6)
- N-(3-Methylisothiazol-5-yl)-3-(thiophen-2-yl)acrylamide (CAS 1226487-94-0)
- N-(3-Methylisothiazol-5-yl)-4-nitro-1H-pyrrole-2-carboxamide (CAS 478493-09-3)
- N-(3-Methylisothiazol-5-yl)-5-nitrofuran-2-carboxamide (CAS 1208660-53-0)
Recommended Standards
- Methyl 3-amino-4-phenylthiophene-2-carboxylate (CAS 82437-64-7)
- N-(3-(methylthio)phenyl)furan-2-carboxamide (CAS 664350-53-2)
- Methyl 3-(2-Methyl-4-thiazolyl)benzoate (CAS 850375-07-4)
- N-(4-(Methylthio)phenyl)furan-2-carboxamide (CAS 899014-94-9)
- SPDP-sulfo (CAS 121115-30-8)
- 5-(Trifluoromethyl)pyridine-2,4-diol (CAS 1227574-81-3)
- 2-ethynyl-1-methyl-1H-pyrrolo[2,3-b]pyridine (CAS 1638763-51-5)
- (Anthracen-9-ylethynyl)trimethylsilane (CAS 104784-61-4)
- 5-Chloro-2,3-dimethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CAS 1356165-74-6)
- 5-Cyclopropoxy-3-(dimethylamino)pyridine-2-sulfonamide (CAS 1243317-30-7)
- 2-[(methylsulfamoyl)amino]acetic acid (CAS 1593743-89-5)
- 4-((1S,5S)-8-oxo-1,3,4,5,6,8-hexahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carboxamido)benzoic acid (CAS 1212342-43-2)
- 6-Bromo-8-methyl-1,2,3,4-tetrahydroisoquinoline (CAS 1375302-92-3)
- Liraglutide (CAS 204656-20-2)
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