2-[[4-(4-Fluorophenyl)-4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl]thio]acetic acid CAS 727704-74-7
| CAS No. | 727704-74-7 |
| Molecular Formula | C10H7FN2O2S3 |
| Molecular Weight | 302.37 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 2-[[4-(4-Fluorophenyl)-4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl]thio]acetic acid.
2-[[4-(4-Fluorophenyl)-4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl]thio]acetic acid (CAS 727704-74-7), molecular formula C10H7FN2O2S3 and molecular weight 302.37 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-[[4-(4-Fluorophenyl)-4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl]thio]acetic acid (C10H7FN2O2S3) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 302.37 g/mol, it falls into the moderately-high-molecular-weight range. 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.
CATO manufactures 2-[[4-(4-Fluorophenyl)-4,5-dihydro-5-thioxo-1,3,4-thiadiazol-2-yl]thio]acetic acid under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C10H7FN2O2S3 |
| Molecular Weight | 302.37 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 3 |
Related Fluorophenyl Standards
- 1-(4-Fluorophenyl)-4-isopropyl-7-(methylthio)-1H-pyrazolo[3,4-d]pyridazine (CAS 1105202-75-2)
- (2-(4-Fluorophenyl)-5,6,7,8-tetrahydrobenzo[d]imidazo[2,1-b]thiazol-3-yl)methanol (CAS 866009-44-1)
- 4-(4-Fluorophenyl)-5-(2-morpholinoethyl)pyrimidin-2-amine (CAS 861206-99-7)
- 4-(4-Fluorophenyl)-5-[(3-methylphenyl)sulfanyl]-1,2,3-thiadiazole (CAS 338408-81-4)
- 4-[(4-Fluorophenyl)sulfanyl]-2-(methylsulfanyl)quinazoline (CAS 477845-84-4)
- N-((4-(4-Fluorophenyl)-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)methanesulfonamide (CAS 917747-35-4)
- (2E)-3-(4-Fluorophenyl)-1,2-diphenylprop-2-en-1-one (CAS 34236-68-5)
- 3-(2-Fluorophenyl)-4-(((5-methylfuran-2-yl)methylene)amino)-1H-1,2,4-triazole-5(4H)-thione (CAS 578734-03-9)
Recommended Standards
- 2-[(4-Methylphenyl)methyl]-2H,3H,5H,6H-benzo[h]cinnolin-3-one (CAS 478042-19-2)
- 2-[1-(6-Methoxy-2-naphthyl)ethyl]-1H-benzimidazole (CAS 709000-02-2)
- 2,6-Diamino-1,5-dimercaptoanthracene-9,10-dione (CAS 6409-17-2)
- 2-Acetyl-3'-(benzyloxy)biphenyl (CAS 893739-69-0)
- 2-(3-(P-tolyl)propanoyl)benzonitrile (CAS 898768-53-1)
- 2-(5-Methyloxazol-2-yl)acetic acid (CAS 1368841-42-2)
- Methyl 5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-5-carboxylate (CAS 2106731-12-6)
- 2-amino-2-[4-chloro-2-(trifluoromethyl)phenyl]ethan-1-ol hydrochloride (CAS 1701984-81-7)
- 5-Chloro-2-morpholino-6-nitrooxazolo[4,5-b]pyridine (CAS 1801345-37-8)
- rel-(2S,3S)-2-Amino-4-fluoro-3-hydroxybutanoic acid (CAS 102130-93-8)
- 5-Bromo-4-methyl-indan-1-ol (CAS 1956331-77-3)
- 2-(2-Methyl-4-oxo-1,4-dihydrobenzo[4,5]imidazo[1,2-a]pyrimidin-3-yl)ethyl hexanoate (CAS 866137-38-4)
- (S)-2-Amino-3-(methylsulfonyl)propanoic acid (CAS 1065052-07-4)
- Liraglutide Impurity 22 (CAS 536721-25-2)
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