N-(2-NITROPHENYLTHIO)SACCHARIN
N-(2-NITROPHENYLTHIO)SACCHARIN structure
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Common Name | N-(2-NITROPHENYLTHIO)SACCHARIN | ||
|---|---|---|---|---|
| CAS Number | 16239-03-5 | Molecular Weight | 336.34300 | |
| Density | 1.71g/cm3 | Boiling Point | 554.6ºC at 760mmHg | |
| Molecular Formula | C13H8N2O5S2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 289.2ºC | |
Summary: 2-(2-Nitrophenyl)sulfanyl-1,1-dioxo-1,2-benzothiazol-3-one, also known as N-(2-Nitrophenylthio) saccharin, CAS号16239-03-5, with molecular formula C13H8N2O5S2 and molecular weight 336.34300. 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-(2-nitrophenyl)sulfanyl-1,1-dioxo-1,2-benzothiazol-3-one |
|---|
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.71g/cm3 |
|---|---|
| Boiling Point | 554.6ºC at 760mmHg |
| Molecular Formula | C13H8N2O5S2 |
| Molecular Weight | 336.34300 |
| Flash Point | 289.2ºC |
| Exact Mass | 335.98700 |
| PSA | 133.95000 |
| LogP | 3.98850 |
| Vapour Pressure | 2.42E-12mmHg at 25°C |
| Index of Refraction | 1.762 |
| InChIKey | XTEABMFZLAEEKX-UHFFFAOYSA-N |
| SMILES | O=C1c2ccccc2S(=O)(=O)N1Sc1ccccc1[N+](=O)[O-] |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~84%
N-(2-NITROPHENY... CAS#:16239-03-5 |
| Literature: Romani; Bovermann; Moroder; Wunsch Synthesis, 1985 , vol. NO. 5, p. 512 - 513 |
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~%
N-(2-NITROPHENY... CAS#:16239-03-5 |
| Literature: Furukawa,M. et al. Synthesis, 1975 , p. 165 - 167 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 1 | |
![L-Phenylalanine,N-[(2-nitrophenyl)thio] structure](https://image.chemsrc.com/caspic/176/2688-22-4.png)
CAS#:2688-22-4This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by sto...
Source: ChEMBL
Target: Carbonic anhydrase 12
External Id: CHEMBL3762504
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Name: Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stop...
Source: ChEMBL
Target: Carbonic anhydrase 9
External Id: CHEMBL3762503
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Name: Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stop...
Source: ChEMBL
Target: Carbonic anhydrase 2
External Id: CHEMBL3762502
|
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Name: Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stop...
Source: ChEMBL
Target: Carbonic anhydrase 1
External Id: CHEMBL3762501
|
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of 2-(2-nitrophenyl)sulfanyl-1,1-dioxo-1,2-benzothiazol-3-one? |
| A: Polar surface area (PSA) of 2-(2-nitrophenyl)sulfanyl-1,1-dioxo-1,2-benzothiazol-3-one is 133.95000. |
| Q: What is the Chinese name of 16239-03-5? |
| A: Chinese name of 16239-03-5 is 16239-03-5. |
| Q: What is the molecular formula of 2-(2-nitrophenyl)sulfanyl-1,1-dioxo-1,2-benzothiazol-3-one? |
| A: Molecular formula of 2-(2-nitrophenyl)sulfanyl-1,1-dioxo-1,2-benzothiazol-3-one is C13H8N2O5S2. |
| Q: What is the boiling point of 2-(2-nitrophenyl)sulfanyl-1,1-dioxo-1,2-benzothiazol-3-one? |
| A: Boiling point of 2-(2-nitrophenyl)sulfanyl-1,1-dioxo-1,2-benzothiazol-3-one is 554.6ºC at 760mmHg. |
| Q: What is the English name of 2-(2-nitrophenyl)sulfanyl-1,1-dioxo-1,2-benzothiazol-3-one? |
| A: The English name of 2-(2-nitrophenyl)sulfanyl-1,1-dioxo-1,2-benzothiazol-3-one is 2-(2-nitrophenyl)sulfanyl-1,1-dioxo-1,2-benzothiazol-3-one. |
| Q: What is the CAS number of 2-(2-nitrophenyl)sulfanyl-1,1-dioxo-1,2-benzothiazol-3-one? |
| A: CAS number of 2-(2-nitrophenyl)sulfanyl-1,1-dioxo-1,2-benzothiazol-3-one is 16239-03-5. |
| Q: What is the SMILES notation of 2-(2-nitrophenyl)sulfanyl-1,1-dioxo-1,2-benzothiazol-3-one? |
| A: SMILES notation of 2-(2-nitrophenyl)sulfanyl-1,1-dioxo-1,2-benzothiazol-3-one is O=C1c2ccccc2S(=O)(=O)N1Sc1ccccc1[N+](=O)[O-]. |
| Q: What is the molecular weight of 2-(2-nitrophenyl)sulfanyl-1,1-dioxo-1,2-benzothiazol-3-one? |
| A: Molecular weight of 2-(2-nitrophenyl)sulfanyl-1,1-dioxo-1,2-benzothiazol-3-one is 336.34300. |
| Q: What is the LogP of 2-(2-nitrophenyl)sulfanyl-1,1-dioxo-1,2-benzothiazol-3-one? |
| A: LogP of 2-(2-nitrophenyl)sulfanyl-1,1-dioxo-1,2-benzothiazol-3-one is 3.98850. |
| Q: What is the InChIKey of 2-(2-nitrophenyl)sulfanyl-1,1-dioxo-1,2-benzothiazol-3-one? |
| A: InChIKey of 2-(2-nitrophenyl)sulfanyl-1,1-dioxo-1,2-benzothiazol-3-one is XTEABMFZLAEEKX-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. |