4-[(4-Chlorophenyl)sulfanyl]-2-{[(4-methylphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinazoline CAS 338776-88-8
| CAS No. | 338776-88-8 |
| Molecular Formula | C22H21ClN2S2 |
| Molecular Weight | 413.00 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-[(4-Chlorophenyl)sulfanyl]-2-{[(4-methylphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinazoline.
CATO supplies 4-[(4-Chlorophenyl)sulfanyl]-2-{[(4-methylphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinazoline (CAS 338776-88-8), a certified reference material (molecular formula C22H21ClN2S2, MW 413.00 g/mol) for analytical method development and quality control.
Structurally, 4-[(4-Chlorophenyl)sulfanyl]-2-{[(4-methylphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinazoline (C22H21ClN2S2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 413.00 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
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 | C22H21ClN2S2 |
| Molecular Weight | 413.00 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; 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 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Chlorophenyl Standards
- 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-[(4-methylphenyl)sulfanyl]-5,6,7,8-tetrahydroquinazoline (CAS 339019-40-8)
- 4-[(2-Chlorophenyl)sulfanyl]-2-{[(4-methylphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinazoline (CAS 339018-81-4)
- 4-[(3-Chlorophenyl)sulfanyl]-2-{[(4-methylphenyl)methyl]sulfanyl}-5,6,7,8-tetrahydroquinazoline (CAS 343374-09-4)
- (5-((4-Chlorophenyl)thio)-1-methyl-3-phenyl-1H-pyrazol-4-yl)(thiophen-2-yl)methanol (CAS 318949-16-5)
- 3-{[(4-chlorophenyl)methyl]sulfanyl}-4-methyl-5-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-4H-1,2,4-triazole (CAS 338760-21-7)
- [(E)-2-(3-{[(4-chlorophenyl)methyl]sulfanyl}-6-methyl-1,2,4-triazin-5-yl)ethenyl][(4-methylphenyl)methoxy]amine (CAS 338775-69-2)
- (2Z)-3-(2-{[(4-chlorophenyl)methyl]sulfanyl}quinolin-3-yl)-2-phenylprop-2-enenitrile (CAS 478065-17-7)
- 2-{[(2-chlorophenyl)methyl]sulfanyl}-4-(4-methoxyphenoxy)-5,6,7,8-tetrahydroquinazoline (CAS 339019-36-2)
Recommended Standards
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