3-Allyl-2-mercapto-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one CAS 315694-95-2
| CAS No. | 315694-95-2 |
| Molecular Formula | C14H16N2OS2 |
| Molecular Weight | 292.42 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 3-Allyl-2-mercapto-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one.
3-Allyl-2-mercapto-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one (CAS 315694-95-2), molecular formula C14H16N2OS2 and molecular weight 292.42 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C14H16N2OS2, 3-Allyl-2-mercapto-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 292.42 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 3-Allyl-2-mercapto-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one 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 | C14H16N2OS2 |
| Molecular Weight | 292.42 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Allyl Standards
- 3-allyl-7-methyl-2-thioxo-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one (CAS 307512-22-7)
- N-((4-Allyl-5-mercapto-4H-1,2,4-triazol-3-yl)methyl)-4-fluorobenzamide (CAS 1024135-26-9)
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Recommended Standards
- 3-(1-(1H-Benzo[d][1,2,3]triazol-1-yl)propyl)-1,3-thiazinane-2-thione (CAS 849414-25-1)
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- 3-Cyclohexyl-2-mercapto-5-(thiophen-2-ylmethylene)-3,5-dihydro-4H-imidazol-4-one (CAS 832119-07-0)
- 2-Benzhydryl-2,7-diazaspiro[3.5]nonane (CAS 959515-59-4)
- 3-({7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl}amino)propanoic acid, trifluoroacetic acid (CAS 1864058-45-6)
- 5-(2-Aminoethyl)thiophene-2-sulfonamide (CAS 109213-13-0)
- 2-(p-Tolyl)-2-pyrrolidin-1-yl-acetonitrile (CAS 897030-65-8)
- (S)-1-(amino(3-bromophenyl)methyl)cyclopentan-1-ol (CAS 1640000-96-9)
- (R)-Methyl 4-(3-methylpiperazin-1-yl)benzoate (CAS 1201670-92-9)
- Arsenic(III) oxide-<SUP>18</SUP>O<SUB>3</SUB> (CAS 1257737-04-4)
- 1-(3-Methoxyphenyl)cyclopentanemethanamine (CAS 93759-30-9)
- 6-Bromo-8-chloro-2-methylpyrido[3,4-d]pyrimidin-4(3H)-one (CAS 2832066-02-9)
- 4,4,4-Trifluoro-3-hydroxy-3-methylbutanoic acid (CAS 338-03-4)
- Semaglutide impurity 27 (CAS CATO-C4X-222627)
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