4-(Benzylsulfanyl)-6-[(4-methylphenyl)sulfanyl]-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene CAS 478029-98-0
| CAS No. | 478029-98-0 |
| Molecular Formula | C24H18N2S3 |
| Molecular Weight | 430.61 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.
4-(Benzylsulfanyl)-6-[(4-methylphenyl)sulfanyl]-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene (CAS 478029-98-0) is a high-purity analytical reference standard with the molecular formula C24H18N2S3 and a molecular weight of 430.61 g/mol.
Structurally, 4-(Benzylsulfanyl)-6-[(4-methylphenyl)sulfanyl]-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene (C24H18N2S3) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality. The molecule exhibits a degree of unsaturation (DBE) of 17.0, corresponding to approximately 17 ring(s) or double-bond equivalent(s). With a molecular weight of 430.61 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
As a certified reference material (CRM), 4-(Benzylsulfanyl)-6-[(4-methylphenyl)sulfanyl]-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-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 | C24H18N2S3 |
| Molecular Weight | 430.61 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 17.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 3 |
Related Benzylsulfanyl Standards
- 2-(Benzylsulfanyl)-4-[(2,4-dichlorophenyl)sulfanyl]thieno[3,2-d]pyrimidine (CAS 339018-96-1)
- 3-(Benzylsulfanyl)-5-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole (CAS 477850-87-6)
- (E)-{[4-(benzylsulfanyl)-3-nitrophenyl]methylidene}[(4-nitrophenyl)methoxy]amine 12D-037S 303996-26-1 (CAS 303996-26-1)
- 2-(Benzylsulfanyl)-4-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-5-carbonitrile (CAS 303985-63-9)
- 4-(Benzylsulfanyl)-6-(4-chlorophenyl)-2-(pyridin-4-yl)pyrimidine-5-carbonitrile (CAS 320418-10-8)
- 2-(Benzylsulfanyl)-4-(cyclohexylamino)-6-(4-methylphenyl)pyrimidine-5-carbonitrile (CAS 303985-65-1)
- (E)-{[4-(benzylsulfanyl)-3-nitrophenyl]methylidene}[(3,4-dichlorophenyl)methoxy]amine (CAS 303996-24-9)
- (E)-{[6-(benzylsulfanyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene}[(2,4-dichlorophenyl)methoxy]amine (CAS 338976-41-3)
Recommended Standards
- 2-{[(4-methoxyphenyl)methyl]sulfanyl}-4-[(4-methoxyphenyl)sulfanyl]-6-[(methylsulfanyl)methyl]pyrimidine (CAS 303984-97-6)
- 7-Hydroxy-3-oxo-Cholest-4-en-26-oic Acid (CAS 115538-85-7)
- (1R,2S,3S,4R,6S)-4-(((tert-Butyldiphenylsilyl)oxy)methyl)-6-methoxycyclohexane-1,2,3-triol (CAS 58479-62-2)
- 7α-hydroxy-3-oxo-4-cholestenoic acid (CAS 1246298-65-6)
- 6-ethynyl-2-methylquinoline (CAS 1233505-71-9)
- N-Methyl-N,N,N-tris-(decyl)-ammonium chloride (CAS 5137-56-4)
- Diethylphosphinicchloride (CAS 1112-37-4)
- methyl 2-[4-(trifluoromethyl)piperidin-1-yl]propanoate hydrochloride (CAS 1803561-01-4)
- Ethyl 2-chloro-3-cyano-4-fluorobenzoate (CAS 1807006-43-4)
- methyl 1-(1-methyl-1H-pyrazol-4-yl)-5-oxopyrrolidine-3-carboxylate (CAS 1989672-48-1)
- 4-[2-(2-thienyl)ethynyl]-1,2-benzoxazol-3-amine (CAS 2570817-59-1)
- 4,6-Dibromo-2,3-difluoroaniline (CAS 1000574-59-3)
- n,n-Bis(butan-2-yl)-2-chloroacetamide (CAS 32322-33-1)
- Semaglutide Impurity 142 (CAS CATO-C4X-2226142)
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