2-Nitrothiophenol
2-Nitrothiophenol structure
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Common Name | 2-Nitrothiophenol | ||
|---|---|---|---|---|
| CAS Number | 4875-10-9 | Molecular Weight | 155.174 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 262.5±23.0 °C at 760 mmHg | |
| Molecular Formula | C6H5NO2S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 112.6±22.6 °C | |
Summary: 2-Nitrobenzenethiol (Chinese name: 邻硝基苯硫酚, CAS number: 4875-10-9), molecular formula C6H5NO2S, molecular weight 155.174. The boiling point is 262.5±23.0 °C, and the density is 1.4±0.1 g/cm3. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-nitrobenzenethiol |
|---|---|
| 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 | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 262.5±23.0 °C at 760 mmHg |
| Molecular Formula | C6H5NO2S |
| Molecular Weight | 155.174 |
| Flash Point | 112.6±22.6 °C |
| Exact Mass | 155.004105 |
| PSA | 84.62000 |
| LogP | 2.45 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.639 |
| InChIKey | JKIFPWHZEZQCQA-UHFFFAOYSA-N |
| SMILES | O=[N+]([O-])c1ccccc1S |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of TRAF6 (unknown origin)-mediated NFkappaB activation expressed in human ...
Source: ChEMBL
Target: TNF receptor-associated factor 6
External Id: CHEMBL4390488
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Name: Cytotoxicity against human HeLaS3 cells assessed as reduction in cell viability at 10...
Source: ChEMBL
Target: HeLa S3
External Id: CHEMBL4390489
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-Nitrothiophenol |
| 2-nitro-1-benzenethiol |
| 2-nitro-benzenethiol |
| 2-Thionitrobenzene |
| 2-nitrobenzene-1-thiol |
| Benzenethiol,2-nitro |
| bis-o-nitrothiophenol |
| 2-Nitrobenzenethiol |
| 2-Sulphanylnitrobenzene |
| nitrophenyl mercaptan |
| o-Nitrobenzenethiol |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the CAS number of 2-nitrobenzenethiol? |
| A: CAS number of 2-nitrobenzenethiol is 4875-10-9. |
| Q: What is the English name of 2-nitrobenzenethiol? |
| A: The English name of 2-nitrobenzenethiol is 2-nitrobenzenethiol. |
| Q: What is the molecular formula of 2-nitrobenzenethiol? |
| A: Molecular formula of 2-nitrobenzenethiol is C6H5NO2S. |
| Q: What English synonyms does 2-nitrobenzenethiol have? |
| A: English synonyms of 2-nitrobenzenethiol: 2-Nitrothiophenol, 2-nitro-1-benzenethiol, 2-nitro-benzenethiol, 2-Thionitrobenzene, 2-nitrobenzene-1-thiol, Benzenethiol,2-nitro, bis-o-nitrothiophenol, 2-Nitrobenzenethiol, 2-Sulphanylnitrobenzene, nitrophenyl mercaptan, o-Nitrobenzenethiol. |
| Q: What is the LogP of 2-nitrobenzenethiol? |
| A: LogP of 2-nitrobenzenethiol is 2.45. |
| Q: What is the InChIKey of 2-nitrobenzenethiol? |
| A: InChIKey of 2-nitrobenzenethiol is JKIFPWHZEZQCQA-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 2-nitrobenzenethiol? |
| A: SMILES notation of 2-nitrobenzenethiol is O=[N+]([O-])c1ccccc1S. |
| Q: What is the molecular weight of 2-nitrobenzenethiol? |
| A: Molecular weight of 2-nitrobenzenethiol is 155.174. |
| Q: What is the boiling point of 2-nitrobenzenethiol? |
| A: Boiling point of 2-nitrobenzenethiol is 262.5±23.0 °C at 760 mmHg. |
| Q: What is the polar surface area (PSA) of 2-nitrobenzenethiol? |
| A: Polar surface area (PSA) of 2-nitrobenzenethiol is 84.62000. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Dayang Chem (Hangzhou) Co., Ltd. |