3-Methyl-2-(methylthio)benzo[d]thiazol-3-ium 4-methylbenzenesulfonate CAS 55514-14-2
| CAS No. | 55514-14-2 |
| Molecular Formula | C9H10NS2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-Methyl-2-(methylthio)benzo[d]thiazol-3-ium 4-methylbenzenesulfonate (CAS 55514-14-2), molecular formula C9H10NS2C7H7O3S and molecular weight 367.50 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, 3-Methyl-2-(methylthio)benzo[d]thiazol-3-ium 4-methylbenzenesulfonate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 367.50 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.
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.
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 | C9H10NS2 C7H7O3S |
| Molecular Weight | 367.50 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1972 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 3 |
Related Methyl Standards
- 4-(Methylthio)-1H-pyrazolo[3,4-d]pyrimidin-6-ol (CAS 100047-41-4)
- 2-(Methylthio)-N-(2-(4-nitrophenoxy)ethyl)thiazolo[4,5-d]pyrimidin-7-amine (CAS 1000574-56-0)
- 4-Methyl-3-(methylthio)-7-nitro-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide (CAS 1000575-87-0)
- 3-(Methylthio)-4-phenyl-4H-benzo[e][1,2,4]thiadiazine 1,1-dioxide (CAS 1000577-38-7)
- 5-Methyl-2-(methylthio)pyrimidine (CAS 100114-24-7)
- 6-benzyl-2-(methylthio)pyrimidin-4(3H)-one (CAS 100142-46-9)
- 2-(Methylthio)-5,6-dihydropyrimidin-4(1H)-one (CAS 100185-53-3)
- 4-(methylthio)-6-(tributylstannyl)pyrimidine (CAS 1002719-56-3)
Recommended Standards
- 3-(4-Butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde (CAS 1234691-88-3)
- 1-(2,3-Dichloro-6-(difluoromethoxy)phenyl)propan-1-one (CAS 1804885-34-4)
- 5-ethyl-2,2-dimethylmorpholine (CAS 1155144-02-7)
- 3-(3-chloro-4-methoxybenzoyl)-4H,5H,6H-cyclopenta[b]thiophen-2-amine (CAS 1797174-07-2)
- 2-(2-Phenylcyclopropyl)ethan-1-amine (CAS 1358656-59-3)
- 5,6-bis(Methoxycarbonyl)-N,N,N-trimethyl-3-pyridinemethanaminium Bromide (CAS 150514-78-6)
- 1-(Difluoromethyl)-1h-indazol-5-amine (CAS 1423032-23-8)
- Alogliptin Impurity 12 HCl (CAS CATO-C4X-109912)
- 6-Bromo-3-iodoquinolin-4-ol (CAS 1260886-58-5)
- Semaglutide impurity 205 (CAS CATO-C4X-2226205)
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