2-(Hexylthio)-6-methylpyrimidin-4(1H)-one CAS 138468-63-0
| CAS No. | 138468-63-0 |
| Molecular Formula | C11H18N2OS |
| Molecular Weight | 226.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-(Hexylthio)-6-methylpyrimidin-4(1H)-one (CAS 138468-63-0), molecular formula C11H18N2OS and molecular weight 226.34 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 2-(Hexylthio)-6-methylpyrimidin-4(1H)-one (C11H18N2OS) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage. 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. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C11H18N2OS |
| Molecular Weight | 226.34 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1996 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Hexylthio Standards
- 2-(Hexylthio)benzenethiol (CAS 1379343-37-9)
- (2-(Hexylthio)phenyl)methanol (CAS 1443306-29-3)
- (4-(Hexylthio)phenyl)methanol (CAS 1443328-49-1)
- 3-(Hexylthio)benzaldehyde (CAS 1443335-28-1)
- 2-(Hexylthio)benzaldehyde (CAS 261361-38-0)
- 4-(Hexylthio)benzaldehyde (CAS 53606-36-3)
- 5-(Hexylthio)-1,3,4-thiadiazole-2-thiol (CAS 4858-28-0)
- 5-(Hexylthio)-1,3,4-thiadiazol-2-amine (CAS 61516-63-0)
Recommended Standards
- (S)-2-Amino-N-isopropyl-N-(thiophen-3-ylmethyl)propanamide (CAS 1354010-93-7)
- 4-Methoxy-3-(pentyloxy)benzenethiol (CAS 1443346-96-0)
- (S)-2-Amino-3-methyl-N-((3-methylthiophen-2-yl)methyl)butanamide (CAS 1354009-31-6)
- (3-Butoxy-4-methoxyphenyl)(methyl)sulfane (CAS 1443347-09-8)
- 1-(4-Fluorobenzyl)-N-(2-fluorophenyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide (CAS 946352-97-2)
- 1-(4-Methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine-4-thiol (CAS 1082437-05-5)
- (2-Fluoro-3-(isopropoxycarbonyl)phenyl)boronic acid (CAS 2096332-43-1)
- Bupivacaine Impurity 32 (CAS 2199805-25-7)
- (2s)-2-(3,3-Difluorocyclobutyl)-2-(9h-fluoren-9-ylmethoxycarbonylamino)aceticacid (CAS 2349734-08-1)
- 3β,4β-Dihydroxyandrost-5-en-17-one (CAS 63518-24-1)
- (2S,3S)-3-Phenylpyrrolidine-2-carboxylic acid (CAS 118758-49-9)
- 6-(((4-Methoxyphenyl)diphenylmethyl)amino)hexanoic acid (CAS 135672-64-9)
- 2-Methyl-3-(thiazolo[5,4-b]pyridin-2-yl)aniline (CAS 1204297-85-7)
- Tirzepatide Impurity 18 (CAS CATO-C4X-324018)
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