2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile structure
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Common Name | 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile | ||
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| CAS Number | 42159-76-2 | Molecular Weight | 234.36000 | |
| Density | 1.13g/cm3 | Boiling Point | 405.5ºC at 760 mmHg | |
| Molecular Formula | C13H18N2S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 199ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
|---|---|
| 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 | 1.13g/cm3 |
|---|---|
| Boiling Point | 405.5ºC at 760 mmHg |
| Molecular Formula | C13H18N2S |
| Molecular Weight | 234.36000 |
| Flash Point | 199ºC |
| Exact Mass | 234.11900 |
| PSA | 78.05000 |
| LogP | 3.93418 |
| Index of Refraction | 1.573 |
| InChIKey | QDIYAWBTKKYATE-UHFFFAOYSA-N |
| SMILES | CC(C)(C)C1CCc2c(sc(N)c2C#N)C1 |
| Storage condition | 2-8°C |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2934999090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~97%
2-amino-6-tert-... CAS#:42159-76-2 |
| Literature: Feroci, Marta; Chiarotto, Isabella; Rossi, Leucio; Inesi, Achille Advanced Synthesis and Catalysis, 2008 , vol. 350, # 17 p. 2740 - 2746 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 1 | |
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| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934999090 |
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| 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: Cell survival assay for modulators of telomere damage signalling
Source: 15378
Target: N/A
External Id: TELO_02
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Name: Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: HCMV UL50
External Id: HMS1262
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Name: qHTS assay for inhibitors of human lactate dehydrogenase
Source: NCGC
Target: N/A
External Id: LDHA
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Name: Binding affinity to substrate binding site of multidrug resistance Mycobacterium tube...
Source: ChEMBL
Target: Diacylglycerol acyltransferase/mycolyltransferase Ag85C
External Id: CHEMBL1634179
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Name: Primary qHTS Assay for Foot and Mouth Disease Virus Antivirals against NCGC Sytravon ...
Source: NCGC
External Id: stopgo-p2-SytraCBC-dual-FF
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Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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Name: Alphascreen assay for small molecules abrogating mHTT-CaM Interaction
Source: 24983
Target: Huntingtin
External Id: KUHTS-Muma KU-CaM-Htt INH-01
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Name: Primary qHTS Assay for Foot and Mouth Disease Virus Antivirals against NCGC Sytravon ...
Source: NCGC
External Id: stopgo-p2-SytraCBC-dual-Ren
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Name: Growth inhibition of Mycobacterium smegmatis
Source: ChEMBL
Target: Mycolicibacterium smegmatis
External Id: CHEMBL1634181
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Name: A screen for compounds that inhibit viral RNA polymerase binding and polymerization a...
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Chain A, Poliovirus Polymerase With Gtp
External Id: HMS750
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| MFCD00128283 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular formula of 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile? |
| A: Molecular formula of 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile is C13H18N2S. |
| Q: What are the storage conditions for 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile? |
| A: Storage conditions for 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile: 2-8°C. |
| Q: What is the molecular weight of 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile? |
| A: Molecular weight of 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile is 234.36000. |
| Q: What is the CAS number of 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile? |
| A: CAS number of 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile is 42159-76-2. |
| Q: What is the boiling point of 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile? |
| A: Boiling point of 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile is 405.5ºC at 760 mmHg. |
| Q: What is the SMILES notation of 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile? |
| A: SMILES notation of 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile is CC(C)(C)C1CCc2c(sc(N)c2C#N)C1. |
| Q: What is the LogP of 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile? |
| A: LogP of 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile is 3.93418. |
| Q: What is the polar surface area (PSA) of 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile? |
| A: Polar surface area (PSA) of 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile is 78.05000. |
| Q: What is the English name of 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile? |
| A: The English name of 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile is 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile. |
| Q: What English synonyms does 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile have? |
| A: English synonyms of 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile: MFCD00128283. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |