4-(Methylsulfonyl)isothiazol-3-amine CAS 2794197-49-0
| CAS No. | 2794197-49-0 |
| Molecular Formula | C4H6N2O2S2 |
| Molecular Weight | 178.23 g/mol |
| 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 4-(Methylsulfonyl)isothiazol-3-amine.
4-(Methylsulfonyl)isothiazol-3-amine (CAS 2794197-49-0) is a high-purity analytical reference standard with the molecular formula C4H6N2O2S2 and a molecular weight of 178.23 g/mol.
Structurally, 4-(Methylsulfonyl)isothiazol-3-amine (C4H6N2O2S2) contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 3.0, corresponding to approximately 3 ring(s) or double-bond equivalent(s). With a molecular weight of 178.23 g/mol, it falls into the medium-molecular-weight range. 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 | C4H6N2O2S2 |
| Molecular Weight | 178.23 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 | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 2003 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Methylsulfonyl Standards
- 2-Methyl-5-(methylsulfonyl)-1,3,4-thiadiazole (CAS 35647-46-2)
- 5-(Methylsulfonyl)thiazol-2-amine (CAS 20812-13-9)
- 3-methyl-5-(methylsulfonyl)-1,2,4-thiadiazole (CAS 37864-85-0)
- 1-(Methylsulfonyl)azetidine-3-carboxamide (CAS 1428374-79-1)
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