4-{[(4-methylphenyl)methyl]sulfanyl}-N-(prop-2-en-1-yl)-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-amine CAS 478029-90-2
| CAS No. | 478029-90-2 |
| Molecular Formula | C21H19N3S2 |
| Molecular Weight | 377.53 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Based on its molecular formula C21H19N3S2, 4-{[(4-methylphenyl)methyl]sulfanyl}-N-(prop-2-en-1-yl)-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-amine 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 377.53 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.
4-{[(4-methylphenyl)methyl]sulfanyl}-N-(prop-2-en-1-yl)-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-amine (CAS 478029-90-2) is a high-purity analytical reference standard with the molecular formula C21H19N3S2 and a molecular weight of 377.53 g/mol.
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), 4-{[(4-methylphenyl)methyl]sulfanyl}-N-(prop-2-en-1-yl)-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-amine 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 | C21H19N3S2 |
| Molecular Weight | 377.53 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
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Recommended Standards
- 2-(Benzylthio)-4-(pyrrolidin-1-yl)benzo[4,5]thieno[3,2-d]pyrimidine (CAS 478029-89-9)
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