6-sulfanylpyrimidin-4-ol
6-sulfanylpyrimidin-4-ol structure
|
Common Name | 6-sulfanylpyrimidin-4-ol | ||
|---|---|---|---|---|
| CAS Number | 6311-83-7 | Molecular Weight | 128.152 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 231.9±50.0 °C at 760 mmHg | |
| Molecular Formula | C4H4N2OS | Melting Point | 247 °C | |
| MSDS | N/A | Flash Point | 94.0±30.1 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 4-sulfanyl-1H-pyrimidin-6-one |
|---|---|
| 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 | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 231.9±50.0 °C at 760 mmHg |
| Melting Point | 247 °C |
| Molecular Formula | C4H4N2OS |
| Molecular Weight | 128.152 |
| Flash Point | 94.0±30.1 °C |
| Exact Mass | 128.004440 |
| PSA | 84.55000 |
| LogP | -0.54 |
| Vapour Pressure | 0.1±0.5 mmHg at 25°C |
| Index of Refraction | 1.713 |
| InChIKey | QXFVCKOCNCYDQD-UHFFFAOYSA-N |
| SMILES | O=c1cc(S)nc[nH]1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2933599090 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 0 | |
|---|---|
| DownStream 1 | |
CAS#:51953-18-5This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933599090 |
|---|---|
| Summary | 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. 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.
|
Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
|
|
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 6-sulfanylpyrimidin-4-ol |
| 6-Sulfanylpyrimidin-4(1H)-one |
| 4-Hydroxy-6-mercapto-pyrimidin |
| 6-thioxo-5,6-dihydro-1H-pyrimidin-4-one |
| 6-Sulfanyl-4(1H)-pyrimidinone |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 4-sulfanyl-1H-pyrimidin-6-one? |
| A: LogP of 4-sulfanyl-1H-pyrimidin-6-one is -0.54. |
| Q: What is the polar surface area (PSA) of 4-sulfanyl-1H-pyrimidin-6-one? |
| A: Polar surface area (PSA) of 4-sulfanyl-1H-pyrimidin-6-one is 84.55000. |
| Q: What is the boiling point of 4-sulfanyl-1H-pyrimidin-6-one? |
| A: Boiling point of 4-sulfanyl-1H-pyrimidin-6-one is 231.9±50.0 °C at 760 mmHg. |
| Q: What is the SMILES notation of 4-sulfanyl-1H-pyrimidin-6-one? |
| A: SMILES notation of 4-sulfanyl-1H-pyrimidin-6-one is O=c1cc(S)nc[nH]1. |
| Q: What is the English name of 4-sulfanyl-1H-pyrimidin-6-one? |
| A: The English name of 4-sulfanyl-1H-pyrimidin-6-one is 4-sulfanyl-1H-pyrimidin-6-one. |
| Q: What is the melting point of 4-sulfanyl-1H-pyrimidin-6-one? |
| A: Melting point of 4-sulfanyl-1H-pyrimidin-6-one is 247 °C. |
| Q: What are the downstream products of 4-sulfanyl-1H-pyrimidin-6-one? |
| A: Related downstream products(CAS) of 4-sulfanyl-1H-pyrimidin-6-one: 51953-18-5. |
| Q: What is the molecular weight of 4-sulfanyl-1H-pyrimidin-6-one? |
| A: Molecular weight of 4-sulfanyl-1H-pyrimidin-6-one is 128.152. |
| Q: What English synonyms does 4-sulfanyl-1H-pyrimidin-6-one have? |
| A: English synonyms of 4-sulfanyl-1H-pyrimidin-6-one: 6-sulfanylpyrimidin-4-ol, 6-Sulfanylpyrimidin-4(1H)-one, 4-Hydroxy-6-mercapto-pyrimidin, 6-thioxo-5,6-dihydro-1H-pyrimidin-4-one, 6-Sulfanyl-4(1H)-pyrimidinone. |
| Q: What is the InChIKey of 4-sulfanyl-1H-pyrimidin-6-one? |
| A: InChIKey of 4-sulfanyl-1H-pyrimidin-6-one is QXFVCKOCNCYDQD-UHFFFAOYSA-N. |
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. |