4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide

Base Information

• Chemical Name: 4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide
• CAS No.: 61339-50-2
• Molecular Formula: C13H15ClN2OS
• Molecular Weight: 282.78900
• DSSTox Substance ID: DTXSID80364470
• Wikidata: Q82148443

Synonyms:61339-50-2;Butanamide, 4-chloro-N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thien-2-yl)-;4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide;Enamine_002332;ST50052233;DTXSID80364470;HMS1400J22;STL306685;AKOS000536678;UPCMLD0ENAT0507-4422:001;SR-01000356033;SR-01000356033-1;Z56420682;4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)butanamide

Chemical Property of 4-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide

Chemical Property:

• PSA: 84.62000
• LogP: 4.10558
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 282.0593620
• Heavy Atom Count: 18
• Complexity: 354

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2=C(C1)C(=C(S2)NC(=O)CCCCl)C#N

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