3-Isobutyl-2-mercapto-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3h)-one CAS 721908-18-5
| CAS No. | 721908-18-5 |
| Molecular Formula | C14H18N2OS2 |
| Molecular Weight | 294.44 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 294.44 g/mol gives 3-Isobutyl-2-mercapto-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3h)-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-Isobutyl-2-mercapto-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3h)-one (CAS 721908-18-5) is a high-purity analytical reference standard with the molecular formula C14H18N2OS2 and a molecular weight of 294.44 g/mol.
Based on its molecular formula C14H18N2OS2, 3-Isobutyl-2-mercapto-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3h)-one contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 294.44 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 | C14H18N2OS2 |
| Molecular Weight | 294.44 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.) | 1986 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Isobutyl Standards
- N-Isobutyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CAS 877801-71-3)
- Ethyl 3-isobutyl-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate (CAS 457910-74-6)
- N2-Isobutyl-5-nitro-6-(piperidin-1-yl)pyrimidine-2,4-diamine (CAS 672943-18-9)
- 3-(3-Isobutyl-3H-imidazo[4,5-b]pyridin-2-yl)benzoic acid (CAS 1244855-37-5)
- (S)-4-Isobutyl-5,5-diphenyloxazolidin-2-one (CAS 191090-34-3)
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Recommended Standards
- 3-(Sec-butyl)-2-mercapto-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3h)-one (CAS 748777-81-3)
- 5-(5-Tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazole-2-thiol (CAS 885460-60-6)
- 1,2,3,5,6,7-Hexahydro-3-pentyl-2-thioxo-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one (CAS 727696-13-1)
- N,N'-(Disulfanediylbis(ethane-2,1-diyl))bis(3-aminopropanamide) (CAS 646-08-2)
- (11bS)-N-((S)-1-(2-(diphenylphosphanyl)phenyl)ethyl)-N-methyldinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine (CAS 913265-33-5)
- N-((2,5-Dioxopyrrolidin-1-yl)methyl)-N-methylbenzenesulfonamide (CAS 72802-68-7)
- Tegafur-Uracil (CAS 74578-38-4)
- Lanreotide Impurity 32 (CAS 182482-12-8)
- N-ethylthiophen-2-amine (CAS 203730-54-5)
- 7-Fluoro-4-methyl-1H-indole-2-carboxylic acid (CAS 383132-49-8)
- 2,3-Dimethyl-5-(4-methylpentyl)naphthalene (CAS 204256-07-5)
- (E)-Oct-4-enedioic acid (CAS 14277-16-8)
- 4-Amino-6-bromo-3-chloropicolinic acid (CAS 350601-51-3)
- Peptide Impurity 40 (CAS CATO-CPTD788840)
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