2-chloro-N-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]acetamide|519016-57-0,AngeneChemical

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Pyrimidine, 5-bromo-2-methyl-

1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide

2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-

O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]

Tris(dibenzylideneacetone)dipalladium

C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C

Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

2-chloro-N-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]acetamide

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Chemical Name:	2-chloro-N-[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]acetamide
CAS Number:	519016-57-0
Product Number:	AG00DQG3(AGN-PC-0WBOR9)
Synonyms:
MDL No:	MFCD02853858
Molecular Formula:	C16H21ClN2OS
Molecular Weight:	324.8687

Identification/Properties
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NMR Spectrum
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Identification/Properties

Computed Properties

Molecular Weight:

324.867g/mol

XLogP3:

5.4

Hydrogen Bond Donor Count:

Hydrogen Bond Acceptor Count:

Rotatable Bond Count:

Exact Mass:

324.106g/mol

Monoisotopic Mass:

324.106g/mol

Topological Polar Surface Area:

81.1A^2

Heavy Atom Count:

Formal Charge:

Complexity:

445

Isotope Atom Count:

Defined Atom Stereocenter Count:

Undefined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Undefined Bond Stereocenter Count:

Covalently-Bonded Unit Count:

Compound Is Canonicalized:

Yes

Safety Information

GHS Pictogram:

N/A

Signal Word:

UN#:

Hazard Statements:

Precautionary Statements:

Class:

Packing Group:

NMR Spectrum

Other Analytical Data

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Chemical Structure

2-Chloro-N-(3-cyano-6-(tert-pentyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide is a versatile compound that finds significant utility in chemical synthesis. This particular molecule serves as a key building block for the creation of various pharmaceuticals and agrochemicals due to its unique structural properties. Its presence in chemical reactions can facilitate the formation of complex organic molecules through strategic functional group transformations. Specifically, the cyano group contributes to increased reactivity and diversity in chemical reactions, enabling the synthesis of novel compounds with potential biological activities. Additionally, the chloro group can serve as a point for further modification, allowing for the synthesis of diverse analogs with varying properties. In summary, the application of 2-Chloro-N-(3-cyano-6-(tert-pentyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)acetamide in chemical synthesis lies in its ability to act as a valuable intermediate for the construction of complex molecules with potential pharmacological or agricultural significance.