3-{[(2-methylphenyl)methyl]sulfanyl}-5H,6H-benzo[h]cinnoline CAS 478047-89-1
| CAS No. | 478047-89-1 |
| Molecular Formula | C20H18N2S |
| Molecular Weight | 318.44 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-{[(2-methylphenyl)methyl]sulfanyl}-5H,6H-benzo[h]cinnoline is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 3-{[(2-methylphenyl)methyl]sulfanyl}-5H,6H-benzo[h]cinnoline (CAS 478047-89-1), a certified reference material (molecular formula C20H18N2S, MW 318.44 g/mol) for analytical method development and quality control.
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, 3-{[(2-methylphenyl)methyl]sulfanyl}-5H,6H-benzo[h]cinnoline is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 318.44 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C20H18N2S |
| Molecular Weight | 318.44 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related methylphenyl Standards
- 3-{[(4-methylphenyl)methyl]sulfanyl}-5H,6H-benzo[h]cinnoline (CAS 383148-07-0)
- 4-[(2-Methylphenyl)sulfanyl]-6-phenylfuro[2,3-d]pyrimidine (CAS 866039-01-2)
- Ethyl 2-({[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl}amino)acetate (CAS 1330750-54-3)
- 3-[N-(4-methylphenyl)benzenesulfonamido]propanoic acid (CAS 565165-50-6)
- 4-{[(3-Methylphenyl)(methylsulfonyl)amino]methyl}benzoic acid (CAS 353502-15-5)
- 5-[2-(4-methylphenyl)quinolin-4-yl]-1,3,4-oxadiazole-2-thiol (CAS 885459-97-2)
- Ethyl 4-((4-methylphenyl)sulfonamido)benzoate (CAS 739-33-3)
- (3R)-1-[(4-Methylphenyl)sulfonyl]tetrahydro-1H-pyrrol-3-yl methanesulfonate (CAS 956187-93-2)
Recommended Standards
- 3-(Thiophen-2-yl)-N-(4-(thiophen-2-yl)thiazol-2-yl)acrylamide (CAS 325694-01-7)
- 2,7-Dichloro-5-(methylthio)imidazo[1,2-c]pyrimidine (CAS 27420-38-8)
- 4-(4-Methoxyphenyl)-5-(1-(piperidin-1-yl)ethyl)-4h-1,2,4-triazole-3-thiol (CAS 730997-76-9)
- 2-(Dipropylamino)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (CAS 675578-69-5)
- rac-(4aα)-4a,5,9,10,11,12-Hexahydro-1,5-dibromo-11-formyl-3-methoxy-6H-benzofuro[3a,3,2-e,f][2]benzazepin-6-one (CAS 1076198-20-3)
- 2-[(1-chloro-2,2,2-trifluoroethyl)sulfanyl]aniline (CAS 949259-77-2)
- D-N-Benzylserine (CAS 106910-77-4)
- 3-(Difluoromethyl)-6-hydrazinylpyridazine (CAS 1706458-40-3)
- Trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-thiol (CAS 250674-98-7)
- O1-Benzyl O2-ethyl cis-5-aminopiperidine-1,2-dicarboxylate (CAS 1078129-21-1)
- H-Leu-Gln-Val-Gln-Leu-Ser-Ile-Arg-OH (CAS 170655-69-3)
- (e)-4-Bromo-6,7-dimethoxy-2,3-dihydroinden-1-one oxime (CAS 18028-30-3)
- 1-(Trifluoromethyl)cyclobutane-1-carbonitrile (CAS 1447949-37-2)
- Integrin Binding Peptide trifluoroacetate salt (CAS 278792-07-7)
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