2-Thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one
![2-Thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one Structure](CAS/GIF/34682-99-0.gif)
- CAS No.
- 34682-99-0
- Chemical Name:
- 2-Thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one
- Synonyms
- 2-sulfanylidene-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one;2-Thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one;2,3-dihydro-2-thioxo-Pyrazolo[1,5-a]-1,3,5-triazin-4(1H)-one;Pyrazolo[1,5-a]-1,3,5-triazin-4(1H)-one, 2,3-dihydro-2-thioxo-;2-sulfanylidene-1H,2H,3H,4H-pyrazolo[1,5-a][1,3,5]triazin-4-one
- CBNumber:
- CB02499420
- Molecular Formula:
- C5H4N4OS
- Molecular Weight:
- 168.18
- MDL Number:
- MFCD04110174
- MOL File:
- 34682-99-0.mol
- MSDS File:
- SDS
| Melting point | 284-286 °C(Solv: methanol (67-56-1)) |
|---|---|
| Density | 1.93±0.1 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 6.56±0.20(Predicted) |
| Appearance | White to off-white Solid |
| InChI | InChI=1S/C5H4N4OS/c10-5-8-4(11)7-3-1-2-6-9(3)5/h1-2H,(H2,7,8,10,11) |
| InChIKey | OOXVDMMAVZXHFW-UHFFFAOYSA-N |
| SMILES | N12N=CC=C1NC(=S)NC2=O |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|---|---|
| Signal word | Warning |
| Hazard statements | H302-H315-H319-H335 |
| Precautionary statements | P261-P305+P351+P338 |
2-Thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one price More Price(21)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Biosynth | JBA68299 | 2-Thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one | 34682-99-0 | 5g | $413 | 2026-06-04 | Buy |
| Matrix Scientific | 125052 | 2-Thioxo-2,3-dihydropyrazolo-[1,5-a][1,3,5]triazin-4(1H)-one | 34682-99-0 | 100.00mg | $11 | 2026-05-18 | Buy |
| Matrix Scientific | 125052 | 2-Thioxo-2,3-dihydropyrazolo-[1,5-a][1,3,5]triazin-4(1H)-one | 34682-99-0 | 250.00mg | $26 | 2026-05-18 | Buy |
| Matrix Scientific | 125052 | 2-Thioxo-2,3-dihydropyrazolo-[1,5-a][1,3,5]triazin-4(1H)-one | 34682-99-0 | 1.00g | $71 | 2026-05-18 | Buy |
| aablocks | AA00CKL3 | 2-Thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one 98% | 34682-99-0 | 100mg | $8 | 2026-05-28 | Buy |
2-Thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one Chemical Properties, Uses, Production
Synthesis Reference(s)
Journal of Heterocyclic Chemistry, 11, p. 199, 1974 DOI: 10.1002/jhet.5570110217
Synthesis, p. 301, 1975 DOI: 10.1055/s-1975-23738
Synthesis
34683-00-6
![2-Thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one](/CAS/GIF/34682-99-0.gif)
34682-99-0
General procedure for the synthesis of 2-thio-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one from compound (CAS: 34683-00-6): compound 46 (7.2 g) was dissolved in 2N NaOH solution (70 mL) and stirred at room temperature for 1.5 hours. Subsequently, 2N H2SO4 solution (100 mL) was slowly added to the reaction mixture. Upon completion of the reaction, the resulting precipitate was collected by filtration, washed thoroughly with water and then dried under vacuum to afford compound 47 (5.3 g, 100% yield) as a yellow powder. Thin layer chromatography (TLC) analysis showed an Rf value of 0.16 (unfolding agent ratio MeOH/CH2Cl2, 1/9).1H NMR (300 MHz, DMSO-d6) δ 13.42 (s, 1H), 12.70 (s, 1H), 7.86 (d, J = 1.8 Hz, 1H), 5.88 (d, J = 1.8 Hz, 1H).
References
[1] Bioorganic and Medicinal Chemistry, 2011, vol. 19, # 20, p. 5955 - 5966
[2] Patent: US2006/106019, 2006, A1. Location in patent: Page/Page column 17
[3] Patent: WO2017/59191, 2017, A1. Location in patent: Paragraph 00170-00173
[4] Patent: WO2015/193169, A1. Location in patent: Page/Page column 47
[4] Patent: , 2015, . Location in patent: Page/Page column 47
2-Thioxo-2,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4(1H)-one Preparation Products And Raw materials
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