2-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N-(3-fluorophenyl)acetamide CAS 477331-44-5
| CAS No. | 477331-44-5 |
| Molecular Formula | C17H14FN3OS3 |
| Molecular Weight | 391.51 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.
2-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N-(3-fluorophenyl)acetamide (CAS 477331-44-5) is a high-purity analytical reference standard with the molecular formula C17H14FN3OS3 and a molecular weight of 391.51 g/mol.
The molecular framework of 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N-(3-fluorophenyl)acetamide (C17H14FN3OS3) is characterized by a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), 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 | C17H14FN3OS3 |
| Molecular Weight | 391.51 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 3 |
Related Benzylthio Standards
- 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N'-(furan-2-ylmethylene)acetohydrazide (CAS 315201-14-0)
- 3-(Benzylthio)-4-(4-chlorophenyl)-5-(2,2-dimethoxyethyl)-4H-1,2,4-triazole (CAS 477851-16-4)
- 2-(Benzylthio)-1-(2,4-dichloro-5-isopropoxyphenyl)-1H-imidazole (CAS 338967-21-8)
- 2-(Benzylthio)-4-(diethylamino)-6-(p-tolyl)pyrimidine-5-carbonitrile (CAS 303985-66-2)
- 2-(Benzylthio)-4-morpholino-6-phenylpyrimidine-5-carbonitrile (CAS 860649-63-4)
- 2-(Benzylthio)-N-(2-(2-(4-fluorophenyl)thiazol-4-yl)ethyl)acetamide (CAS 1209943-23-6)
- 4-(Benzylthio)-N-(4H-chromeno[4,3-d]thiazol-2-yl)butanamide (CAS 923474-58-2)
- 2-(Benzylthio)-4-(2,4-difluorophenoxy)thieno[3,2-d]pyrimidine (CAS 478067-48-0)
Recommended Standards
- 2-((3-Ethyl-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(4-methoxyphenyl)acetamide (CAS 851409-32-0)
- 2-(3-(2,5-Dimethyl-1H-pyrrol-1-yl)thiophen-2-yl)-6-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CAS 865658-02-2)
- 1-Butyl-4-(1-(2-(o-tolyloxy)ethyl)-1H-benzo[d]imidazol-2-yl)pyrrolidin-2-one (CAS 912896-42-5)
- 2-[3-(2,5-Dimethyl-1H-pyrrol-1-yl)thiophen-2-yl]-6-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CAS 685106-56-3)
- N-[4-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidine-4-carboxamide (CAS 2246726-79-2)
- 3-Benzoyl-N-(1-phenylethyl)thiazolidine-4-carboxamide (CAS 104682-67-9)
- Disperse Violet 93 (CAS 52697-38-8)
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- 2,3-Dibromo-4-ethoxy-5-methoxybenzaldehyde (CAS 832674-65-4)
- (R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol (CAS 1567851-20-0)
- 3-(2-Ethoxyethyl)-1-methyl-4-propyl-1h-pyrazol-5-amine (CAS 1519487-34-3)
- 4-Bromo-6-methoxyquinolin-7-ol (CAS 1245794-19-7)
- 4-Bromo-2,3-dichlorophenylthiourea (CAS 1263377-77-0)
- Vialox Peptide(Pentapeptide-3) diacetate (CAS 725232-44-0)
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