1-Imino-1-oxo-1,2-benzothiazol-3-one
Modify Date: 2026-08-26 15:43:24
1-Imino-1-oxo-1,2-benzothiazol-3-one structure
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Common Name | 1-Imino-1-oxo-1,2-benzothiazol-3-one | ||
|---|---|---|---|---|
| CAS Number | 2097006-10-3 | Molecular Weight | 182.20 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C7H6N2O2S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1-Imino-1-oxo-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.
| Molecular Formula | C7H6N2O2S |
|---|---|
| Molecular Weight | 182.20 |
| InChIKey | HJLKMRCBLRKKQP-UHFFFAOYSA-N |
| SMILES | N=S1(=O)NC(=O)c2ccccc21 |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Inhibition of human ERG at 11 uM by single shot IonWork assay relative to control
Source: ChEMBL
Target: Potassium voltage-gated channel subfamily H member 2
External Id: CHEMBL4036852
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Name: Apparent permeability of the compound across apical side to basolateral side in human...
Source: ChEMBL
Target: N/A
External Id: CHEMBL4036850
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Name: Intrinsic clearance in human liver microsomes
Source: ChEMBL
Target: Liver
External Id: CHEMBL4036849
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Name: Distribution coefficient, log D of compound at pH 7.4
Source: ChEMBL
Target: N/A
External Id: CHEMBL4036846
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Name: Dissociation constant, pKa of the compound by UV absorbance method
Source: ChEMBL
Target: N/A
External Id: CHEMBL4036845
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This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 1-Imino-1-oxo-1,2-benzothiazol-3-one? |
| A: InChIKey of 1-Imino-1-oxo-1,2-benzothiazol-3-one is HJLKMRCBLRKKQP-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 1-Imino-1-oxo-1,2-benzothiazol-3-one? |
| A: Molecular weight of 1-Imino-1-oxo-1,2-benzothiazol-3-one is 182.20. |
| Q: What is the CAS number of 1-Imino-1-oxo-1,2-benzothiazol-3-one? |
| A: CAS number of 1-Imino-1-oxo-1,2-benzothiazol-3-one is 2097006-10-3. |
| Q: What is the Chinese name of 2097006-10-3? |
| A: Chinese name of 2097006-10-3 is 2097006-10-3. |
| Q: What is the molecular formula of 1-Imino-1-oxo-1,2-benzothiazol-3-one? |
| A: Molecular formula of 1-Imino-1-oxo-1,2-benzothiazol-3-one is C7H6N2O2S. |
| Q: What is the English name of 1-Imino-1-oxo-1,2-benzothiazol-3-one? |
| A: The English name of 1-Imino-1-oxo-1,2-benzothiazol-3-one is 1-Imino-1-oxo-1,2-benzothiazol-3-one. |
| Q: What is the SMILES notation of 1-Imino-1-oxo-1,2-benzothiazol-3-one? |
| A: SMILES notation of 1-Imino-1-oxo-1,2-benzothiazol-3-one is N=S1(=O)NC(=O)c2ccccc21. |