6-Chloro-4-{[(4-methylphenyl)methyl]sulfanyl}-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene CAS 478029-85-5

Purity 97%+In StockPharmaceutical Standards
CAS No.478029-85-5
Molecular FormulaC18H13ClN2S2
Molecular Weight356.89 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

6-Chloro-4-{[(4-methylphenyl)methyl]sulfanyl}-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene CAS 478029-85-5 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 356.89 g/mol gives 6-Chloro-4-{[(4-methylphenyl)methyl]sulfanyl}-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

6-Chloro-4-{[(4-methylphenyl)methyl]sulfanyl}-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene (CAS 478029-85-5), molecular formula C18H13ClN2S2 and molecular weight 356.89 g/mol, is a CATO reference standard with documented purity and traceability.

6-Chloro-4-{[(4-methylphenyl)methyl]sulfanyl}-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene (C18H13ClN2S2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

CATO manufactures 6-Chloro-4-{[(4-methylphenyl)methyl]sulfanyl}-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene 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 FormulaC18H13ClN2S2
Molecular Weight356.89 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)13.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl-containing
Nitrogen Atoms2
Sulfur Atoms2

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