6-Thioxo-6,9-dihydro-1H-purin-2(3H)-one
6-Thioxo-6,9-dihydro-1H-purin-2(3H)-one structure
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Common Name | 6-Thioxo-6,9-dihydro-1H-purin-2(3H)-one | ||
|---|---|---|---|---|
| CAS Number | 2002-59-7 | Molecular Weight | 168.176 | |
| Density | 1.8±0.1 g/cm3 | Boiling Point | 722.6±63.0 °C at 760 mmHg | |
| Molecular Formula | C5H4N4OS | Melting Point | 300 °C | |
| MSDS | N/A | Flash Point | 390.8±33.7 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 6-Thioxanthine |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.8±0.1 g/cm3 |
|---|---|
| Boiling Point | 722.6±63.0 °C at 760 mmHg |
| Melting Point | 300 °C |
| Molecular Formula | C5H4N4OS |
| Molecular Weight | 168.176 |
| Flash Point | 390.8±33.7 °C |
| Exact Mass | 168.010574 |
| PSA | 109.42000 |
| LogP | -0.70 |
| Vapour Pressure | 0.0±2.4 mmHg at 25°C |
| Index of Refraction | 1.894 |
| InChIKey | RJOXFJDOUQJOMQ-UHFFFAOYSA-N |
| SMILES | O=c1[nH]c(=S)c2[nH]cnc2[nH]1 |
| Storage condition | 2-8°C |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xn: Harmful; |
|---|---|
| Risk Phrases | R20/21/22 |
| Safety Phrases | S24/25-S36 |
| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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6-Thioxo-6,9-di... CAS#:2002-59-7 |
| Literature: Journal of the American Chemical Society, , vol. 76, p. 5633,5635,5636 |
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6-Thioxo-6,9-di... CAS#:2002-59-7 |
| Literature: US2697709 , ; |
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6-Thioxo-6,9-di... CAS#:2002-59-7 |
| Literature: US2697709 , ; |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1):...
Source: NCGC
Target: thioredoxin reductase [Rattus norvegicus]
External Id: TRXR101
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Name: qHTS for Inhibitors of Polymerase Iota
Source: NCGC
Target: DNA polymerase iota [Homo sapiens]
External Id: PolI100
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Name: Substrate activity at Helicobacter pylori XGHPRT assessed as Kcat using purine base a...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4826250
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
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Name: qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: mCherry Reporter Primar...
Source: NCGC
Target: 67.9K protein [Vaccinia virus]
External Id: Vaccinia-p2mCherry
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Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
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Name: qHTS for Inhibitors of Polymerase Kappa
Source: NCGC
Target: DNA polymerase kappa [Homo sapiens]
External Id: PolK100
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Name: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1):...
Source: NCGC
Target: thioredoxin reductase [Rattus norvegicus]
External Id: TRXR100
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Name: qHTS for Stage-Specific Inhibitors of Vaccinia Orthopoxvirus: Venus Reporter Primary ...
Source: NCGC
Target: 67.9K protein [Vaccinia virus]
External Id: Vaccinia-p2Venus
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Name: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen
Source: NCGC
Target: N/A
External Id: SMAD3201
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 6-Sulfanyl-9H-purin-2-ol |
| 6-Thioxo-6,9-dihydro-1H-purin-2(3H)-one |
| MFCD00010841 |
| 6-Thioxo-1,3,6,7-tetrahydro-2H-purin-2-one |
| 6-sulfanylidene-3,7-dihydropurin-2-one |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 6-Thioxanthine? |
| A: Molecular formula of 6-Thioxanthine is C5H4N4OS. |
| Q: What are the storage conditions for 6-Thioxanthine? |
| A: Storage conditions for 6-Thioxanthine: 2-8°C. |
| Q: What is the InChIKey of 6-Thioxanthine? |
| A: InChIKey of 6-Thioxanthine is RJOXFJDOUQJOMQ-UHFFFAOYSA-N. |
| Q: What is the melting point of 6-Thioxanthine? |
| A: Melting point of 6-Thioxanthine is 300 °C. |
| Q: What English synonyms does 6-Thioxanthine have? |
| A: English synonyms of 6-Thioxanthine: 6-Sulfanyl-9H-purin-2-ol, 6-Thioxo-6,9-dihydro-1H-purin-2(3H)-one, MFCD00010841, 6-Thioxo-1,3,6,7-tetrahydro-2H-purin-2-one, 6-sulfanylidene-3,7-dihydropurin-2-one. |
| Q: What is the SMILES notation of 6-Thioxanthine? |
| A: SMILES notation of 6-Thioxanthine is O=c1[nH]c(=S)c2[nH]cnc2[nH]1. |
| Q: What is the safety information for 6-Thioxanthine? |
| A: Safety information for 6-Thioxanthine: S24/25-S36. |
| Q: What is the LogP of 6-Thioxanthine? |
| A: LogP of 6-Thioxanthine is -0.70. |
| Q: What is the English name of 6-Thioxanthine? |
| A: The English name of 6-Thioxanthine is 6-Thioxanthine. |
| Q: What is the molecular weight of 6-Thioxanthine? |
| A: Molecular weight of 6-Thioxanthine is 168.176. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |