3-(Benzylamino)-2-(methylthio)-4-phenylthiazol-3-ium iodide CAS 105701-08-4
| CAS No. | 105701-08-4 |
| Molecular Formula | C17H17N2S2 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 440.36 g/mol gives 3-(Benzylamino)-2-(methylthio)-4-phenylthiazol-3-ium iodide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-(Benzylamino)-2-(methylthio)-4-phenylthiazol-3-ium iodide (CAS 105701-08-4) is a high-purity analytical reference standard with the molecular formula C17H17N2S2I and a molecular weight of 440.36 g/mol.
Structurally, 3-(Benzylamino)-2-(methylthio)-4-phenylthiazol-3-ium iodide (C17H17N2S2I) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, iodine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 440.36 g/mol, it falls into the moderately-high-molecular-weight range. 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.
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 | C17H17N2S2 I |
| Molecular Weight | 440.36 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Benzylamino Standards
- Methyl 2-(benzylamino)-4-bromothiazole-5-carboxylate (CAS 1000577-06-9)
- N-[(benzylamino)carbonyl]acrylamide (CAS 1000931-67-8)
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- 3-(Benzylamino)-1-(4-iodophenyl)pyrrolidine-2,5-dione (CAS 1009417-93-9)
- Ethyl 4-(benzylamino)-2-(methylthio)pyrimidine-5-carboxylate (CAS 100973-67-9)
Recommended Standards
- 3-Acetamido-6-acetyl-2-nitrophenyl 4-(benzyl(methyl)amino)-3,5-difluorobenzoate (CAS 1548406-01-4)
- Bis(4-iodophenyl)amine (CAS 20255-70-3)
- 4,5,6,7-Tetrahydropyrazolo[1,5-a]pyrimidine-3,7-diol (CAS 126352-74-7)
- DMH 1 (CAS 1206711-16-1)
- 3-Fluoro-5-(piperidin-4-yl)pyridine (CAS 1138218-01-5)
- 1-Methyl-7,8-dihydroimidazo[1,5-c]pyrimidin-5(6H)-one (CAS 51777-26-5)
- tert-Butyl 4-chloro-1H-pyrazole-1-carboxylate (CAS 1821332-22-2)
- 1-Bromo-4-(butane-1-sulfonyl)benzene (CAS 403793-28-2)
- (1-((Dimethylamino)methyl)cyclopropyl)methanol (CAS 39943-41-4)
- Anxiety Peptide (CAS 95237-86-8)
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