3-Allyl-6-chloro-2-mercaptoquinazolin-4(3h)-one CAS 49782-31-2
| CAS No. | 49782-31-2 |
| Molecular Formula | C11H9ClN2OS |
| Molecular Weight | 252.72 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
3-Allyl-6-chloro-2-mercaptoquinazolin-4(3h)-one (CAS 49782-31-2), molecular formula C11H9ClN2OS and molecular weight 252.72 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3-Allyl-6-chloro-2-mercaptoquinazolin-4(3h)-one (C11H9ClN2OS) 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 its high hydrophobicity (logP), 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.
CATO manufactures 3-Allyl-6-chloro-2-mercaptoquinazolin-4(3h)-one 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 | C11H9ClN2OS |
| Molecular Weight | 252.72 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1971 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Allyl Standards
- 3-Allyl-7-chloro-2-mercaptoquinazolin-4(3H)-one (CAS 91063-29-5)
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Recommended Standards
- 3-(3-Chlorophenyl)-2-(methylthio)pyrimidin-4(3H)-one (CAS 89069-23-8)
- 2-Chloro-N-(4-phenyl-1,3-thiazol-2-yl)acetamide (CAS 5039-16-7)
- 3-Chloro-6-((4,6-dimethylpyrimidin-2-yl)thio)pyridazine (CAS 393183-65-8)
- 2-Amino-N-(4-chlorophenyl)thiophene-3-carboxamide (CAS 590351-14-7)
- 1-Boc-4-(4-Chloroquinazolin-6-ylethynyl)piperidine (CAS 383434-51-3)
- 6-iodoisochromane-1,3-dione (CAS 2673193-18-3)
- 4-Bromo-2-chloro-3-fluorophenol (CAS 1233026-52-2)
- 5-(3,5-Dimethoxyphenyl)-5-oxopentanoic acid (CAS 898792-55-7)
- Labetalol Impurity 68 (CAS CATO-C4X-246668)
- (R)-1-(6-Chloropyrimidin-4-yl)pyrrolidin-3-ol (CAS 1264038-82-5)
- 3,4-Dimethylthiophene-2,5-dicarboxylic acid (CAS 19799-13-4)
- N-(4-(2,4-dichlorophenyl)thiazol-2-yl)-2-(o-tolylthio)acetamide (CAS 338957-95-2)
- 1-(4-methoxyphenyl)hexahydropyrimidine-2,4-dione (CAS 27430-32-6)
- Peptide Impurity 70 TFA Salt (CAS CATO-CPTD788570)
Why CATO?
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