1H-Iodole-2-carbothioamide
1H-Iodole-2-carbothioamide structure
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Common Name | 1H-Iodole-2-carbothioamide | ||
|---|---|---|---|---|
| CAS Number | 63071-71-6 | Molecular Weight | 176.23800 | |
| Density | 1.372g/cm3 | Boiling Point | 399ºC at 760 mmHg | |
| Molecular Formula | C9H8N2S | Melting Point | 212-214ºC | |
| MSDS | N/A | Flash Point | 195.1ºC | |
Summary: 1H-Indole-2-carbothioamide (通用英文名：1H-Iodole-2-carbothioamide)，CAS number 63071-71-6，molecular formula C9H8N2S，molecular weight 176.23800，melting point 212-214°C. 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 | 1H-Indole-2-carbothioamide |
|---|---|
| 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 | 1.372g/cm3 |
|---|---|
| Boiling Point | 399ºC at 760 mmHg |
| Melting Point | 212-214ºC |
| Molecular Formula | C9H8N2S |
| Molecular Weight | 176.23800 |
| Flash Point | 195.1ºC |
| Exact Mass | 176.04100 |
| PSA | 73.90000 |
| LogP | 2.50240 |
| Index of Refraction | 1.796 |
| InChIKey | JFLPYJVQUCPMJT-UHFFFAOYSA-N |
| SMILES | NC(=S)c1cc2ccccc2[nH]1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2933990090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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1H-Iodole-2-car... CAS#:63071-71-6 |
| Literature: Martelli, Alma; Testai, Lara; Citi, Valentina; Marino, Alice; Pugliesi, Isabella; Barresi, Elisabetta; Nesi, Giulia; Rapposelli, Simona; Taliani, Sabrina; Da Settimo, Federico; Breschi, Maria C.; Calderone, Vincenzo ACS Medicinal Chemistry Letters, 2013 , vol. 4, # 10 p. 904 - 908 |
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1H-Iodole-2-car... CAS#:63071-71-6 |
| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 19 p. 5897 - 5900 |
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1H-Iodole-2-car... CAS#:63071-71-6 |
| Literature: Journal of the Chemical Society, , p. 2853,2856 |
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1H-Iodole-2-car... CAS#:63071-71-6 |
| Literature: Journal of the Chemical Society, , p. 2853,2856 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. 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.
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Name: Induction of H2S release in PBS buffer 10x at pH 7.4 assessed as time required to rea...
Source: ChEMBL
Target: N/A
External Id: CHEMBL2444679
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Name: Induction of H2S release in PBS buffer 10x at pH 7.4 assessed as maximal concentratio...
Source: ChEMBL
Target: N/A
External Id: CHEMBL2444678
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Name: Induction of H2S release in PBS buffer 10x at pH 7.4 assessed as maximal concentratio...
Source: ChEMBL
Target: N/A
External Id: CHEMBL2444677
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Name: Induction of H2S release in PBS buffer 10x at pH 7.4 assessed as time required to rea...
Source: ChEMBL
Target: N/A
External Id: CHEMBL2444676
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| indolecarbothioamide |
| Indol-2-thiocarbamid |
| indole-2-carbothioamide |
| aminoindol-2-ylmethane-1-thione |
| 1H-indole-2-carbothioic acid amide |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the LogP of 1H-Indole-2-carbothioamide? |
| A: LogP of 1H-Indole-2-carbothioamide is 2.50240. |
| Q: What is the polar surface area (PSA) of 1H-Indole-2-carbothioamide? |
| A: Polar surface area (PSA) of 1H-Indole-2-carbothioamide is 73.90000. |
| Q: What is the SMILES notation of 1H-Indole-2-carbothioamide? |
| A: SMILES notation of 1H-Indole-2-carbothioamide is NC(=S)c1cc2ccccc2[nH]1. |
| Q: What is the InChIKey of 1H-Indole-2-carbothioamide? |
| A: InChIKey of 1H-Indole-2-carbothioamide is JFLPYJVQUCPMJT-UHFFFAOYSA-N. |
| Q: What is the melting point of 1H-Indole-2-carbothioamide? |
| A: Melting point of 1H-Indole-2-carbothioamide is 212-214ºC. |
| Q: What is the boiling point of 1H-Indole-2-carbothioamide? |
| A: Boiling point of 1H-Indole-2-carbothioamide is 399ºC at 760 mmHg. |
| Q: What is the English name of 1H-Indole-2-carbothioamide? |
| A: The English name of 1H-Indole-2-carbothioamide is 1H-Indole-2-carbothioamide. |
| Q: What is the molecular weight of 1H-Indole-2-carbothioamide? |
| A: Molecular weight of 1H-Indole-2-carbothioamide is 176.23800. |
| Q: What are the upstream materials of 1H-Indole-2-carbothioamide? |
| A: Related upstream materials(CAS) of 1H-Indole-2-carbothioamide: 1670-84-4;1477-50-5;36193-65-4;58881-45-1. |
| Q: What is the CAS number of 1H-Indole-2-carbothioamide? |
| A: CAS number of 1H-Indole-2-carbothioamide is 63071-71-6. |
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. |