3-{[6-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}-1-phenylurea CAS 339017-97-9
| CAS No. | 339017-97-9 |
| Molecular Formula | C12H12ClN5OS |
| Molecular Weight | 309.77 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-{[6-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}-1-phenylurea is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 3-{[6-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}-1-phenylurea (CAS 339017-97-9), a certified reference material (molecular formula C12H12ClN5OS, MW 309.77 g/mol) for analytical method development and quality control.
The molecular framework of 3-{[6-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}-1-phenylurea (C12H12ClN5OS) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
As a certified reference material (CRM), 3-{[6-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}-1-phenylurea 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 | C12H12ClN5OS |
| Molecular Weight | 309.77 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Related chloro Standards
- 3-Chloro-6,11-dihydro-5,5-dioxo-11-hydroxy-6-methyldibenzo[c,f][1,2]thiazepine (CAS 26723-60-4)
- 5-Chloro-N-(3-methoxyphenyl)-2-(methylthio)pyrimidine-4-carboxamide (CAS 325724-88-7)
- Ethyl 4-chloro-5-formyl-2-(phenylamino)thiophene-3-carboxylate (CAS 78267-24-0)
- Methyl 2-((5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl)thio)acetate (CAS 338779-84-3)
- N-[4-(4-Chloro-Benzenesulfonyl)-Phenyl]-Acetamide (CAS 6630-10-0)
- 3-((5-Chloro-2-methoxyphenyl)amino)-1-(4-fluorophenyl)propan-1-ol (CAS 477328-82-8)
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Recommended Standards
- 2-((3-Chlorophenyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate (CAS 387854-23-1)
- 2-((2-Chlorophenyl)amino)-2-oxoethyl 3-methylthiophene-2-carboxylate (CAS 387853-57-8)
- 4-[(1E)-[(4-Chlorophenyl)imino]methyl]phenyl methanesulfonate (CAS 301194-63-8)
- 1-(2-Chloropyridin-3-yl)-3-(methyl(oxo)(phenyl)-lambda6-sulfanylidene)urea (CAS 650615-80-8)
- N-(((9H-fluoren-9-yl)methoxy)carbonyl)-N-(pentan-3-yl)glycine (CAS 688315-32-4)
- Benzyl 4-Bromophenethylcarbamate (CAS 191170-76-0)
- 5-Chloroimidazo[1,2-a]pyrazine-3-carboxylic acid (CAS 1934422-88-4)
- Methyl (S)-3-(3-chlorophenyl)-3-hydroxypropanoate (CAS 632327-20-9)
- 2-Benzyl-3-(4-chlorophenoxy)quinoxaline (CAS 551931-13-6)
- 5-Bromopyrimidin-2(1H)-one hydrobromide hydrochloride (CAS 477709-63-0)
- ethyl (2S)-2-fluoro-2-(1-naphthyl)acetate (CAS 2738339-14-3)
- 2-methoxy-4-propoxybenzoic acid (CAS 104217-01-8)
- Pyrimidin-4-yl-acetic acid (CAS 325491-53-0)
- D-Lys16-Tirzepatide (CAS CATO-CPTD788918)
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