N-(3-chloro-4-cyanophenyl)(propan-2-yloxy)carbothioamide CAS 1240527-46-1
| CAS No. | 1240527-46-1 |
| Molecular Formula | C11H11ClN2OS |
| Molecular Weight | 254.74 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
N-(3-chloro-4-cyanophenyl)(propan-2-yloxy)carbothioamide (C11H11ClN2OS) contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
CATO supplies N-(3-chloro-4-cyanophenyl)(propan-2-yloxy)carbothioamide (CAS 1240527-46-1), a certified reference material (molecular formula C11H11ClN2OS, MW 254.74 g/mol) for analytical method development and quality control.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C11H11ClN2OS |
| Molecular Weight | 254.74 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.) | 1990 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- methyl 1-[(chlorosulfonyl)methyl]cyclohexane-1-carboxylate (CAS 374931-27-8)
- 3-chloro-6-(propan-2-yl)-1-benzothiophene-2-carboxylic acid (CAS 923759-70-0)
- 1-[3-methoxy-4-(3-methylbutoxy)phenyl]ethan-1-one (CAS 1016880-51-5)
- tert-Butyl 7-chloro-1H-pyrrolo[3,2-b]pyridine-1-carboxylate (CAS 1936703-05-7)
- 2-Propoxybenzonitrile (CAS 6609-58-1)
- (2-Aminophenyl)(2,5-dichlorophenyl)methanone (CAS 21723-84-2)
- 1-(Naphthalen-1-yl)prop-2-en-1-ol (CAS 61619-02-1)
- 3-Nitrocinnolin-4-ol (CAS 500538-67-0)
- 3-Cyclopropyl-3-azabicyclo[3.3.1]nonan-9-one oxime (CAS 604759-83-3)
- Methyl 4-(Bromomethyl)-3-fluorobenzoate (CAS 128577-47-9)
- 4-(tert-Butyl)-2-chlorothiazole (CAS 1188040-26-7)
- Tirzepatide Impurity 11 TFA salt (CAS CATO-C4X-324011)
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