2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
![2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide Structure](https://image.chemsrc.com/caspic/493/40106-15-8.png)
2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide structure
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Common Name | 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide | ||
|---|---|---|---|---|
| CAS Number | 40106-15-8 | Molecular Weight | 224.32300 | |
| Density | 1.231g/cm3 | Boiling Point | 362.5ºC at 760 mmHg | |
| Molecular Formula | C11H16N2OS | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 173ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide |
|---|
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.231g/cm3 |
|---|---|
| Boiling Point | 362.5ºC at 760 mmHg |
| Molecular Formula | C11H16N2OS |
| Molecular Weight | 224.32300 |
| Flash Point | 173ºC |
| Exact Mass | 224.09800 |
| PSA | 97.35000 |
| LogP | 3.36970 |
| Index of Refraction | 1.617 |
| InChIKey | XZCZLVCNYYVFKH-UHFFFAOYSA-N |
| SMILES | NC(=O)c1c(N)sc2c1CCCCCC2 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2934999090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~54%
2-amino-4,5,6,7... CAS#:40106-15-8 |
| Literature: Nallangi, Radhika; Samala, Ganesh; Sridevi, Jonnalagadda Padma; Yogeeswari, Perumal; Sriram, Dharmarajan European Journal of Medicinal Chemistry, 2014 , vol. 76, p. 110 - 117 |
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~53%
2-amino-4,5,6,7... CAS#:40106-15-8 |
| Literature: Masaoka, Takashi; Chung, Suhman; Caboni, Pierluigi; Rausch, Jason W.; Wilson, Jennifer A.; Taskent-Sezgin, Humeyra; Beutler, John A.; Tocco, Graziella; Le Grice, Stuart F. J. Journal of Medicinal Chemistry, 2013 , vol. 56, # 13 p. 5436 - 5445 |
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~%
2-amino-4,5,6,7... CAS#:40106-15-8 |
| Literature: Aurelio, Luigi; Christopoulos, Arthur; Flynn, Bernard L.; Scammells, Peter J.; Sexton, Patrick M.; Valant, Celine Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 12 p. 3704 - 3707 |
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~%
2-amino-4,5,6,7... CAS#:40106-15-8 |
| Literature: Kassab, Asmaa E.; Gedawy, Ehab M. European Journal of Medicinal Chemistry, 2013 , vol. 63, p. 224 - 230 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. 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: Allosteric modulation at human adenosine A1 receptor expressed in CHO FlpIn cells ass...
Source: ChEMBL
Target: Adenosine receptor A1
External Id: CHEMBL1781654
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Name: Allosteric modulation at human adenosine A1 receptor expressed in CHO FlpIn cells ass...
Source: ChEMBL
Target: Adenosine receptor A1
External Id: CHEMBL1781653
|
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Name: Allosteric modulation at human adenosine A1 receptor expressed in CHO FlpIn cells ass...
Source: ChEMBL
Target: Adenosine receptor A1
External Id: CHEMBL1781655
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Name: Contractile Force Screening of ChemBridge Diverset library for asthma drug discovery
Source: 24015
Target: N/A
External Id: HSPH_Screening_CFS_002
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Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
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Name: Inhibition of RNase H activity of HIV-1 HXB2 reverse transcriptase p66/p51 after 10 m...
Source: ChEMBL
Target: Reverse transcriptase/RNaseH
External Id: CHEMBL1678146
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Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
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Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
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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 SMILES notation of 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide? |
| A: SMILES notation of 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is NC(=O)c1c(N)sc2c1CCCCCC2. |
| Q: What is the molecular weight of 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide? |
| A: Molecular weight of 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is 224.32300. |
| Q: What is the molecular formula of 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide? |
| A: Molecular formula of 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is C11H16N2OS. |
| Q: What is the English name of 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide? |
| A: The English name of 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide. |
| Q: What is the boiling point of 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide? |
| A: Boiling point of 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is 362.5ºC at 760 mmHg. |
| Q: What is the polar surface area (PSA) of 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide? |
| A: Polar surface area (PSA) of 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is 97.35000. |
| Q: What are the upstream materials of 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide? |
| A: Related upstream materials(CAS) of 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide: 40106-14-7;502-49-8;107-91-5. |
| Q: What is the LogP of 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide? |
| A: LogP of 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is 3.36970. |
| Q: What is the InChIKey of 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide? |
| A: InChIKey of 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is XZCZLVCNYYVFKH-UHFFFAOYSA-N. |
| Q: What is the CAS number of 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide? |
| A: CAS number of 2-amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is 40106-15-8. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |