2-(Dodecylthio)-1,4,5,6-tetrahydropyrimidine hydrobromide CAS 5512-21-0
| CAS No. | 5512-21-0 |
| Molecular Formula | C16H32N2S |
| Molecular Weight | N/A |
| 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 2-(Dodecylthio)-1,4,5,6-tetrahydropyrimidine hydrobromide.
2-(Dodecylthio)-1,4,5,6-tetrahydropyrimidine hydrobromide (CAS 5512-21-0), molecular formula C16H32N2SHBr and molecular weight 365.42 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C16H32N2SHBr, 2-(Dodecylthio)-1,4,5,6-tetrahydropyrimidine hydrobromide contains sulfur-containing functionality, bromine substitution; these features give the compound characteristic molecular-ion distribution patterns in mass spectrometry. The molecular weight of 365.42 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C16H32N2S HBr |
| Molecular Weight | 365.42 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) | 1.0 |
| CAS Registry Year (est.) | 1958 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
- (S)-N-[3-(6-Isopropoxy-3-pyridyl)-5-indazolyl]-1-[2-[4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-5,6-dihydropyridin-1(2H)-yl]-2-oxoethyl]-3-(methylthio)pyrrolidine-3-carboxamide (CAS 1184173-73-6)
- 1-Boc-4-[(6-bromo-3-pyridyl)methyl]piperazine (CAS 1160923-86-3)
- 5-O-Methylthymidine (CAS 14504-60-0)
- (2r)-5-Hexyl-4-hydroxy-2-undecyl-2,3-dihydropyran-6-one (CAS 112764-00-8)
- Ethyl 5-(Benzyloxy)indole-3-carboxylate (CAS 24370-65-8)
- Racemic-(5aR,9aR)-tert-butyl 5-oxooctahydropyrido[4,3-f][1,4]oxazepine-8(2H)-carboxylate (CAS 1445951-28-9)
- 1-azabicyclo[3.2.1]octan-5-ylmethanesulfonyl chloride hydrochloride (CAS 2060050-68-0)
- Methyl (2Z)-2-(4-chlorobenzenesulfonyl)-3-[(2,4-difluorophenyl)amino]prop-2-enoate (CAS 1327187-53-0)
- 1-(1-(4-Fluorobenzyl)-1H-1,2,3-triazol-4-yl)ethan-1-one (CAS 1355359-02-2)
- Semaglutide impurity 01 (CAS 1998701-31-7)
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