1,3-Benzoxazole-2-carbothioamide CAS 4728-27-2
| CAS No. | 4728-27-2 |
| Molecular Formula | C8H6N2OS |
| Molecular Weight | 178.21 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 1,3-Benzoxazole-2-carbothioamide.
1,3-Benzoxazole-2-carbothioamide (CAS 4728-27-2) is a high-purity analytical reference standard with the molecular formula C8H6N2OS and a molecular weight of 178.21 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, 1,3-Benzoxazole-2-carbothioamide is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 178.21 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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.
As a certified reference material (CRM), 1,3-Benzoxazole-2-carbothioamide meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C8H6N2OS |
| Molecular Weight | 178.21 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1958 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Benzoxazole Standards
- Methyl Benzoxazole-7-carboxylate (CAS 1086378-35-9)
- Methyl Benzoxazole-4-carboxylate (CAS 128156-54-7)
- 2-Methyl-1,3-benzoxazole-6-carboxylic Acid (CAS 13452-14-7)
- Methyl 1,2-benzoxazole-5-carboxylate (CAS 1779941-38-6)
- 2-Methyl-1,3-benzoxazole-7-carboxylic acid (CAS 52395-92-3)
- Methyl Benzoxazole-2-carboxylate (CAS 27383-86-4)
- Methyl 1,3-benzoxazole-2-carboximidoate (CAS 33652-92-5)
- 1,2-Benzoxazole-3-methanol, 7-chloro- (CAS 1200219-12-0)
Recommended Standards
- 1-(Benzo[c][1,2,5]thiadiazol-4-yl)ethanone (CAS 933690-90-5)
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- 1-(1,3-Thiazol-2-yl)-1H-pyrrole-2-carbaldehyde (CAS 383136-31-0)
- 1-ethyl-2-fluoro-5-methyl-1H-1,3-benzodiazole (CAS 2296362-20-2)
- (R)-2-(2-Aminoacetamido)succinic acid (CAS 17343-03-2)
- 2-(chloromethyl)benzene-1-sulfonyl chloride (CAS 31910-66-4)
- ethyl 2-(chlorosulfonyl)-5-fluorobenzoate (CAS 1461706-64-8)
- Fluralaner Impurity 58 (CAS CATO-C4X-218058)
- 3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)propan-1-amine hydrochloride (CAS 1423031-64-4)
- N-(3-Chloro-4-fluorophenyl)-2-((3-ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamide (CAS 618427-71-7)
- 3-(Phenylthio)azetidine (CAS 24083-65-6)
- 5-methyl-5H,6H,7H-pyrrolo[1,2-a]imidazol-7-amine (CAS 1880457-10-2)
- 1,8-Dimethyl-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid (CAS 1269530-15-5)
- Semaglutide impurity 260 (CAS CATO-C4X-2226260)
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