4-Fluoro-N-(5-(prop-2-yn-1-ylthio)-1,3,4-thiadiazol-2-yl)benzamide CAS 647031-48-9
| CAS No. | 647031-48-9 |
| Molecular Formula | C12H8FN3OS2 |
| Molecular Weight | 293.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-Fluoro-N-(5-(prop-2-yn-1-ylthio)-1,3,4-thiadiazol-2-yl)benzamide is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 4-Fluoro-N-(5-(prop-2-yn-1-ylthio)-1,3,4-thiadiazol-2-yl)benzamide (CAS 647031-48-9), a certified reference material (molecular formula C12H8FN3OS2, MW 293.34 g/mol) for analytical method development and quality control.
Structurally, 4-Fluoro-N-(5-(prop-2-yn-1-ylthio)-1,3,4-thiadiazol-2-yl)benzamide (C12H8FN3OS2) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 293.34 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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), 4-Fluoro-N-(5-(prop-2-yn-1-ylthio)-1,3,4-thiadiazol-2-yl)benzamide 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 | C12H8FN3OS2 |
| Molecular Weight | 293.34 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related Fluoro Standards
- 9-Fluoro-5,6-dihydrobenzo[c]acridine-7-carboxylic acid (CAS 1536-29-4)
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- 4-Fluoro-3-(2-chloro-phenylcarbamoyl)phenylboronic acid (CAS 1451393-31-9)
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- 3-Fluoro-N,N-diethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CAS 2121511-42-8)
- N-(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)propan-1-amine (CAS 2377609-37-3)
- N-(2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)propan-2-amine (CAS 2377607-41-3)
Recommended Standards
- 4-Cyano-N-(3-methylbenzo[d]thiazol-2(3H)-ylidene)benzamide (CAS 330677-92-4)
- 4-Methoxy-N-(4-methoxyphenyl)benzenesulfonamide (CAS 24924-59-2)
- 4-(Tert-butoxycarbonyl)-1,4-thiazepane-6-carboxylic acid 1,1-dioxide (CAS 2230802-48-7)
- 4-Tert-butyl 3-methyl 1,1-dioxo-1lambda6-thiomorpholine-3,4-dicarboxylate (CAS 929047-22-3)
- 2-Methoxy-4-methyl-5-(trifluoromethyl)pyridine (CAS 247573-70-2)
- 2-Chloro-1-(difluoromethoxy)-3-fluoro-benzene (CAS 1404193-54-9)
- 8-Benzyl-3-(methylsulfonyl)-3,8-diazabicyclo[3.2.1]Octane (CAS 2139492-02-5)
- 864528-33-6 3-(Azidomethyl)pyridine DTXSID60672500 (CAS 864528-33-6)
- Methyl 3-(3-methyl-1h-pyrazol-1-yl)propanoate (CAS 371118-71-7)
- Brivaracetam Impurity 133 (CAS CATO-C4X-2007133)
- 2-Chloro-N-(4,5-di-p-tolylthiazol-2-yl)acetamide (CAS 726157-04-6)
- 1-(3-Bromobenzyl)cyclopropane-1-carboxylic acid (CAS 1267337-78-9)
- (5Z)-4-Methoxy-5-{[(4-phenoxyphenyl)amino]methylidene}-2,5-dihydrofuran-2-one (CAS 1164540-79-7)
- Acetyl Hexapeptide-38 (CAS 1400634-44-7)
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