4-Methylbenzyl thiocyanate CAS 18991-39-4
| CAS No. | 18991-39-4 |
| Molecular Formula | C9H9NS |
| Molecular Weight | 163.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-Methylbenzyl thiocyanate 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.
4-Methylbenzyl thiocyanate (CAS 18991-39-4), molecular formula C9H9NS and molecular weight 163.24 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C9H9NS, 4-Methylbenzyl thiocyanate contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 163.24 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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-Methylbenzyl thiocyanate 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 | C9H9NS |
| Molecular Weight | 163.24 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1962 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Methylbenzyl Standards
- 2-Methylbenzyl isothiocyanate (CAS 16735-69-6)
- 2-Methylbenzyl thiocyanate (CAS 85728-62-7)
- 3-Methylbenzyl isothiocyanate (CAS 3696-66-0)
- dl-?Methylbenzyl isothiocyanate (CAS 4478-92-6)
- 1-(4-Methylbenzyl)guanidine (CAS 13333-41-0)
- N-(3-methylbenzyl)acetamide (CAS 55329-66-3)
- N-(4-Methylbenzyl)acetamide (CAS 25079-96-3)
- 2-Methylbenzyl acetate (CAS 17373-93-2)
Recommended Standards
- 4-Ethylphenyl isothiocyanate (CAS 18856-63-8)
- 3-Methylindoline-2-thione (CAS 19155-23-8)
- 3-(Thietan-3-ylamino)propane-1,2-diol (CAS 1854205-14-3)
- 2,5-Dimethylphenyl isothiocyanate (CAS 19241-15-7)
- 5,7-Dichloro-6-(2,4,6-trifluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CAS 214707-02-5)
- 4-[butyl(methyl)amino]pyridine-2-carbonitrile (CAS 1249999-25-4)
- 2-Amino-5-(4-chlorophenyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazol-4-one (CAS 1354926-37-6)
- (R)-2-(3-fluorophenyl)piperidine (CAS 1228570-05-5)
- 1-[3-(aminomethyl)pentan-3-yl]-4-chlorobenzene (CAS 1183814-22-3)
- 11-Amino-5,6,7,8,9,10-hexahydro-2-trifluoromethyl-6,9-methanobenzocyclooctene (CAS 1228786-69-3)
- 2-Amino-1-[4-(trifluoromethoxy)phenyl]ethanol (CAS 1038262-63-3)
- 2-(4-Methylbenzyl)-3-(p-tolyl)-2H-indazole (CAS 872682-03-6)
- 5-Amino-N-(2,5-dimethylphenyl)-1-(4-fluorobenzyl)-1H-1,2,3-triazole-4-carboxamide (CAS 902556-82-5)
- Tirzepatide Impurity 19 X TFA Salt (CAS CATO-C4X-324019)
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