4-(Methylsulfanyl)-6-(pyrrolidin-1-yl)-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaene CAS 439096-06-7
| CAS No. | 439096-06-7 |
| Molecular Formula | C15H15N3S2 |
| Molecular Weight | 301.43 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 4-(Methylsulfanyl)-6-(pyrrolidin-1-yl)-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaene.
CATO supplies 4-(Methylsulfanyl)-6-(pyrrolidin-1-yl)-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaene (CAS 439096-06-7), a certified reference material (molecular formula C15H15N3S2, MW 301.43 g/mol) for analytical method development and quality control.
Based on its molecular formula C15H15N3S2, 4-(Methylsulfanyl)-6-(pyrrolidin-1-yl)-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaene contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 301.43 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
As a certified reference material (CRM), 4-(Methylsulfanyl)-6-(pyrrolidin-1-yl)-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2,4,6,10,12-hexaene 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 | C15H15N3S2 |
| Molecular Weight | 301.43 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related Methylsulfanyl Standards
- 4-{6-[(methylsulfanyl)methyl]-2-phenylpyrimidin-4-yl}morpholine (CAS 477886-25-2)
- (5Z)-2-(Methylsulfanyl)-5-{[2-(1H-pyrazol-1-yl)phenyl]methylidene}-4,5-dihydro-1,3-thiazol-4-one (CAS 956792-01-1)
- 3-Methyl-2-(methylsulfanyl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CAS 918350-15-9)
- (5Z)-2-(Methylsulfanyl)-5-{[2-(1H-1,2,4-triazol-1-yl)phenyl]methylidene}-4,5-dihydro-1,3-thiazol-4-one (CAS 860789-60-2)
- (2Z)-3-[2-(Methylsulfanyl)quinolin-3-yl]-2-phenylprop-2-enenitrile (CAS 1164476-25-8)
- 2-(Methylsulfanyl)-5-{4H,5H-naphtho[1,2-b]thiophen-2-yl}-1,3,4-oxadiazole (CAS 477888-00-9)
- (5Z)-2-(Methylsulfanyl)-5-{[2-(trifluoromethyl)phenyl]methylidene}-4,5-dihydro-1,3-thiazol-4-one (CAS 860651-28-1)
- Methyl 3-[4-(methylsulfanyl)phenyl]-5-nitrobenzoate (CAS 1820604-58-7)
Recommended Standards
- 4-((5-(Cyclohexylamino)-1,3,4-thiadiazol-2-yl)thio)butanoic acid (CAS 98152-14-8)
- 4-Ethyl-5-(5-methyl-4-phenylthiophen-3-yl)-4H-1,2,4-triazole-3-thiol (CAS 438230-83-2)
- 3-Fluoro-4-methylphenylzinc iodide 0.5 M in Tetrahydrofuran (CAS 312693-08-6)
- 4-Methyl-3-((2-methylbenzyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazole (CAS 294848-72-9)
- 5-(Aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one hydrochloride (CAS 1177340-06-5)
- tert-butyl N-[rel-(1r,3R,4S)-3,4-dihydroxycyclopentyl]carbamate (CAS 1854105-57-9)
- 6-(2-(Aziridin-1-yl)ethoxy)-5-bromonicotinic acid (CAS 1216703-32-0)
- N-(3-Hydrazinylphenyl)acetamide hydrochloride (CAS 1187369-44-3)
- 4-bromo-1H,2H,3H-pyrrolo[2,3-b]pyridine (CAS 1393534-35-4)
- 1365964-04-0 N-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]-2-chloropropanamide MFCD22056585 (CAS 1365964-04-0)
- (E)-1-(4-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)-3-(thiophen-2-yl)prop-2-en-1-one (CAS 1211932-10-3)
- 3-Piperidineacetic Acid-d (CAS 74494-52-3)
- 1-(O-tolyl)-3-(p-tolyl)propan-1-one (CAS 898768-42-8)
- Acetyl Dipeptide-1 (CAS 196604-48-5)
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