5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazole-2-thiol CAS 68161-58-0
| CAS No. | 68161-58-0 |
| Molecular Formula | C9H9N3OS2 |
| Molecular Weight | 239.32 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 5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazole-2-thiol (CAS 68161-58-0), a certified reference material (molecular formula C9H9N3OS2, MW 239.32 g/mol) for analytical method development and quality control.
The molecular framework of 5-[(3-methoxyphenyl)amino]-1,3,4-thiadiazole-2-thiol (C9H9N3OS2) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
Physical & Chemical Properties
| Molecular Formula | C9H9N3OS2 |
| Molecular Weight | 239.32 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1976 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
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