| CAS No. | 13591-06-5 |
| Molecular Formula | C6H6N2O2S |
| Molecular Weight | 170.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3-Thioxotetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione.
3-Thioxotetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione (CAS 13591-06-5) is a high-purity analytical reference standard with the molecular formula C6H6N2O2S and a molecular weight of 170.19 g/mol.
Structurally, 3-Thioxotetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione (C6H6N2O2S) contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 170.19 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.
CATO manufactures 3-Thioxotetrahydro-1H-pyrrolo[1,2-c]imidazole-1,5(6H)-dione under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
| Molecular Formula | C6H6N2O2S |
| Molecular Weight | 170.19 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1960 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |