3-isothiocyanato-1H-indole-2-carboxylic acid ethyl ester
Modify Date: 2025-09-19 17:46:02
3-isothiocyanato-1H-indole-2-carboxylic acid ethyl ester structure
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Common Name | 3-isothiocyanato-1H-indole-2-carboxylic acid ethyl ester | ||
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| CAS Number | 204635-82-5 | Molecular Weight | 246.28500 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C12H10N2O2S | 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 | 3-isothiocyanato-1H-indole-2-carboxylic acid ethyl ester |
|---|
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C12H10N2O2S |
|---|---|
| Molecular Weight | 246.28500 |
| Exact Mass | 246.04600 |
| PSA | 86.54000 |
| LogP | 3.07890 |
| InChIKey | XOSXJMFSHFQBET-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1[nH]c2ccccc2c1N=C=S |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 3-isothiocyanato-1H-indole-2-carboxylic acid ethyl ester? |
| A: SMILES notation of 3-isothiocyanato-1H-indole-2-carboxylic acid ethyl ester is CCOC(=O)c1[nH]c2ccccc2c1N=C=S. |
| Q: What is the Chinese name of 204635-82-5? |
| A: Chinese name of 204635-82-5 is 204635-82-5. |
| Q: What is the InChIKey of 3-isothiocyanato-1H-indole-2-carboxylic acid ethyl ester? |
| A: InChIKey of 3-isothiocyanato-1H-indole-2-carboxylic acid ethyl ester is XOSXJMFSHFQBET-UHFFFAOYSA-N. |
| Q: What is the English name of 3-isothiocyanato-1H-indole-2-carboxylic acid ethyl ester? |
| A: The English name of 3-isothiocyanato-1H-indole-2-carboxylic acid ethyl ester is 3-isothiocyanato-1H-indole-2-carboxylic acid ethyl ester. |
| Q: What is the CAS number of 3-isothiocyanato-1H-indole-2-carboxylic acid ethyl ester? |
| A: CAS number of 3-isothiocyanato-1H-indole-2-carboxylic acid ethyl ester is 204635-82-5. |
| Q: What is the polar surface area (PSA) of 3-isothiocyanato-1H-indole-2-carboxylic acid ethyl ester? |
| A: Polar surface area (PSA) of 3-isothiocyanato-1H-indole-2-carboxylic acid ethyl ester is 86.54000. |
| Q: What is the molecular weight of 3-isothiocyanato-1H-indole-2-carboxylic acid ethyl ester? |
| A: Molecular weight of 3-isothiocyanato-1H-indole-2-carboxylic acid ethyl ester is 246.28500. |
| Q: What is the LogP of 3-isothiocyanato-1H-indole-2-carboxylic acid ethyl ester? |
| A: LogP of 3-isothiocyanato-1H-indole-2-carboxylic acid ethyl ester is 3.07890. |
| Q: What is the molecular formula of 3-isothiocyanato-1H-indole-2-carboxylic acid ethyl ester? |
| A: Molecular formula of 3-isothiocyanato-1H-indole-2-carboxylic acid ethyl ester is C12H10N2O2S. |