N-Nitro-S-methylisothiourea CAS 2986-25-6
| CAS No. | 2986-25-6 |
| Molecular Formula | C2H5N3O2S |
| Molecular Weight | 135.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of N-Nitro-S-methylisothiourea is closely related to an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
N-Nitro-S-methylisothiourea (CAS 2986-25-6) is a high-purity analytical reference standard with the molecular formula C2H5N3O2S and a molecular weight of 135.14 g/mol.
The molecular framework of N-Nitro-S-methylisothiourea (C2H5N3O2S) is characterized by an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C2H5N3O2S |
| Molecular Weight | 135.14 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1957 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- (2R)-2-ammonio-3-fluoro-3-methylbutanoate (2R)-2-azaniumyl-3-fluoranyl-3-methyl-butanoate 43163-94-6 A826188 (CAS 43163-94-6)
- 3-(1,5,3-dithiazepan-3-yl)propanoic acid (CAS 1966944-40-0)
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- n-((4-((Diethylamino)methyl)thiazol-2-yl)methyl)propan-1-amine (CAS 1248948-16-4)
- 4-Bromo-2-(difluoromethoxy)aniline (CAS 1000575-14-3)
- 4-((2-Hydroxyethyl)thio)benzonitrile (CAS 30609-80-4)
- 4-Ethoxy-N-[2-(hydrazinecarbonyl)phenyl]benzene-1-sulfonamide (CAS 380342-12-1)
- (3-(3-Fluoropyridin-2-yl)phenyl)methanol (CAS 1349708-61-7)
- 2-Fluoro-1,4-bis(trifluoromethyl)benzene (CAS 887268-08-8)
- Peptide Impurity 26 (CAS 1350456-66-4)
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