4-((3-Chlorophenyl)thio)-2-(methylthio)-6-phenylpyrimidine-5-carbonitrile CAS 341965-69-3
| CAS No. | 341965-69-3 |
| Molecular Formula | C18H12ClN3S2 |
| Molecular Weight | 369.89 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 4-((3-Chlorophenyl)thio)-2-(methylthio)-6-phenylpyrimidine-5-carbonitrile (C18H12ClN3S2) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 369.89 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
CATO supplies 4-((3-Chlorophenyl)thio)-2-(methylthio)-6-phenylpyrimidine-5-carbonitrile (CAS 341965-69-3), a certified reference material (molecular formula C18H12ClN3S2, MW 369.89 g/mol) for analytical method development and quality control.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 4-((3-Chlorophenyl)thio)-2-(methylthio)-6-phenylpyrimidine-5-carbonitrile 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 | C18H12ClN3S2 |
| Molecular Weight | 369.89 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |
Related Chlorophenyl Standards
- 4-((4-Chlorophenyl)thio)-2-(methylthio)-6-phenylpyrimidine-5-carbonitrile (CAS 341965-68-2)
- (E)-[(4-Chlorophenyl)methoxy](1-{3-methyl-5-thia-2,7-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,6,8,10-pentaen-4-yl}ethylidene)amine (CAS 478063-11-5)
- 6-(((4-Chlorophenyl)thio)methyl)-2-phenyl-N-propylpyrimidin-4-amine (CAS 306980-49-4)
- (E)-1-[2-(4-Chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-3-(4-methoxyphenyl)-2-propen-1-one (CAS 1164520-79-9)
- 2-[(4-Chlorophenyl)sulfanyl]-N-(4-phenoxyphenyl)acetamide (CAS 882079-36-9)
- Benzyl (2-(4-(4-chlorophenyl)-1H-imidazol-2-yl)propan-2-yl)carbamate (CAS 1416438-44-2)
- N-(3-Chlorophenyl)-5-methyl-11-oxo-5H,5aH,6H,7H,8H,9H,11H-pyrido[2,1-b]quinazoline-3-carboxamide (CAS 1574582-23-2)
- (4Z)-1-(4-Chlorophenyl)-4-{[(3,4-dimethylphenyl)amino]methylidene}-3-ethoxy-4,5-dihydro-1H-pyrazol-5-one (CAS 338751-05-6)
Recommended Standards
- 3-(4-Benzylpiperazin-1-yl)-N-(4-chlorophenyl)but-2-enamide (CAS 867159-68-0)
- 2-(4-(4-Chlorobenzyl)piperazin-1-yl)-1-(indolin-1-yl)ethan-1-one (CAS 240127-55-3)
- Tofacitinib Impurity 134 (CAS CATO-C4X-1079134)
- 1-Butyl-3-(2-chloro-6-(3-methyl-1H-indol-1-yl)benzyl)urea (CAS 866042-64-0)
- 3-(2-Oxo-cyclohexyl)-propionic Acid (CAS 2275-26-5)
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- 4-Chloro-N-methyl-1-phenyl-1H-pyrazole-5-carboxamide (CAS 318497-92-6)
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- Atrasentan Impurity 17 (CAS 1140616-98-3)
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- 5-Amino-4-(1H-benzo[d]imidazol-2-yl)-1-pentyl-1,2-dihydro-3H-pyrrol-3-one (CAS 150016-23-2)
- Immunstimulating Peptide, human (CAS 94773-24-7)
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