3-(Carbamimidoylthio)propanoic acid hydrochloride CAS 871-62-5
| CAS No. | 871-62-5 |
| Molecular Formula | C4H8N2O2S |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-(Carbamimidoylthio)propanoic acid hydrochloride (CAS 871-62-5) is a high-purity analytical reference standard with the molecular formula C4H8N2O2SHCl and a molecular weight of 184.64 g/mol.
Based on its molecular formula C4H8N2O2SHCl, 3-(Carbamimidoylthio)propanoic acid hydrochloride contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic functional-group stretching vibrations in infrared spectroscopy. The molecular weight of 184.64 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C4H8N2O2S HCl |
| Molecular Weight | 184.64 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 1.0 |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Carbamimidoylthio Standards
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- Methyl 2-(carbamimidoylthio)-3-oxobutanoate (CAS 1171965-17-5)
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- Methyl 2-((carbamimidoylthio)methyl)benzoate hydrobromide (CAS 21784-51-0)
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Recommended Standards
- SEM-HN (CAS 56536-09-5)
- Ethyl 2-((chlorosulfonyl)methyl)benzoate (CAS 221631-54-5)
- 2-((Furan-2-ylmethyl)thio)-5-methylpyrazine (CAS 59303-08-1)
- 766-05-2 Cyclohexanecarbonitrile Cyanocyclohexane Cyclohexanecarboxylic acid nitrite Cyclohexyl cyanide EINECS 212-157-4 Hexahydrobenzonitril [German] Hexahydrobenzonitrile Hexahydrobenzonitril EC 212-157-4 (CAS 766-05-2)
- tert-Butyl 5-nitro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamate (CAS 1186638-24-3)
- (S)-2-Amino-3-phenyl-N-(pyridin-2-yl)propanamide (CAS 88932-73-4)
- 1-(2,4,5-Trimethylphenyl)hexan-1-one (CAS 600653-41-6)
- Itraconazole Impurity 45 (CAS 854372-78-4)
- Lobetyolinin (CAS 142451-48-7)
- Biotinyl-CBP501 Affinity Peptide trifluoroacetate salt (CAS 2022956-39-2)
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