(Z)-N-(5-benzoyl-3-(3-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene)cyanamide CAS 1000576-01-1
| CAS No. | 1000576-01-1 |
| Molecular Formula | C16H9BrN4OS |
| Molecular Weight | 385.24 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 (Z)-N-(5-benzoyl-3-(3-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene)cyanamide.
(Z)-N-(5-benzoyl-3-(3-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene)cyanamide (CAS 1000576-01-1), molecular formula C16H9BrN4OS and molecular weight 385.24 g/mol, is a CATO reference standard with documented purity and traceability.
(Z)-N-(5-benzoyl-3-(3-bromophenyl)-1,3,4-thiadiazol-2(3H)-ylidene)cyanamide (C16H9BrN4OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, bromine substitution. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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).
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 | C16H9BrN4OS |
| Molecular Weight | 385.24 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Recommended Standards
- 3,3-Bis(2-chloro-6-fluorobenzyl)pentane-2,4-dione (CAS 400088-51-9)
- tert-Butyl (R)-3-((tert-butoxycarbonyl)amino)-4-iodobutanoate (CAS 1059704-55-0)
- 2-Bromo-6-ethoxy-4-formylphenyl benzenesulfonate (CAS 431998-72-0)
- 2-((4-Bromophenyl)amino)-4H-[1,3]thiazino[5,6-b]quinoxalin-4-one (CAS 154371-19-4)
- Di-tert-butyl (5-(aminomethyl)-4,6-dimethylpyridin-2-yl)iminodicarbonate (CAS 1821247-31-7)
- N-(3-Bromopropyl)-7-chloroquinolin-4-amine (CAS 60548-23-4)
- 5-Bromo-2-ureidothiophene-3-carboxamide (CAS 354812-10-5)
- Ceritinib Impurity 64 (CAS CATO-C4X-104864)
- 3-Iodo-4-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridine (CAS 1190313-20-2)
- 1-(1-Ethyl-1H-imidazol-2-yl)butan-1-one (CAS 540780-96-9)
- 3-Chloro-2,4-dibromo-6-methylphenylisothiocyanate (CAS 1000578-06-2)
- 1-[4-(Tetrahydro-pyran-4-yl)-piperidin-1-yl]-nonadecan-1-one (CAS 865074-89-1)
- N-Benzoyl-L-threonine (CAS 27696-01-1)
- Tirzepatide Impurity 59 (CAS CATO-C4X-324059)
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