5-[(4-fluorobenzyl)amino]-1,3,4-thiadiazole-2-thiol CAS 871801-99-9
| CAS No. | 871801-99-9 |
| Molecular Formula | C9H8FN3S2 |
| Molecular Weight | 241.31 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 5-[(4-fluorobenzyl)amino]-1,3,4-thiadiazole-2-thiol.
5-[(4-fluorobenzyl)amino]-1,3,4-thiadiazole-2-thiol (CAS 871801-99-9), molecular formula C9H8FN3S2 and molecular weight 241.31 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C9H8FN3S2, 5-[(4-fluorobenzyl)amino]-1,3,4-thiadiazole-2-thiol contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 241.31 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
As a certified reference material (CRM), 5-[(4-fluorobenzyl)amino]-1,3,4-thiadiazole-2-thiol meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C9H8FN3S2 |
| Molecular Weight | 241.31 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related fluorobenzyl Standards
- 3-(4-Fluorobenzyl)-2-thioxo-1,3-thiazolidin-4-one (CAS 453-69-0)
- 5-((3-Fluorobenzyl)thio)-1,3,4-thiadiazol-2-amine (CAS 685108-09-2)
- 2-(4-((4-Fluorobenzyl)oxy)phenyl)acetonitrile (CAS 1016535-83-3)
- 2-(4-Fluorobenzyl)-1h-benzo[d]imidazol-5-amine (CAS 108281-62-5)
- n-(2-Fluorobenzyl)-1h-benzo[d]imidazol-2-amine (CAS 1179044-08-6)
- 3-(3-Fluorobenzyl)indolin-2-one (CAS 1544695-14-8)
- 1-(2-Fluorobenzyl)-1H-indazol-5-amine (CAS 202197-30-6)
- 1-(3-Fluorobenzyl)-1H-benzo[d]imidazol-2-amine (CAS 99138-83-7)
Recommended Standards
- 5-(Piperidine-1-sulfonyl)pyridin-2-amine (CAS 627839-20-7)
- 5-{[(2-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine (CAS 299932-87-9)
- 5-(Naphthalen-1-ylmethyl)-1,3,4-thiadiazol-2-amine (CAS 383130-61-8)
- 5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-amine (CAS 299936-22-4)
- 1-Benzyl-4,5-dimethyl-3-(methylsulfonyl)-1H-pyrrol-2-amine (CAS 77444-88-3)
- Tris(2-chloroethyl)-orthoformate (CAS 18719-58-9)
- N-(3,4-dimethylcyclohexyl)thietan-3-amine (CAS 1864260-99-0)
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