S-Phenyl indole-3-thiolobutyrate

Base Information

• Chemical Name: S-Phenyl indole-3-thiolobutyrate
• CAS No.: 85977-73-7
• UNII: 17SW2NLD7Q
• DSSTox Substance ID: DTXSID9058490
• Nikkaji Number: J3.184.519J
• Wikidata: Q27251932

Synonyms:S-Phenyl indole-3-thiolobutyrate;UNII-17SW2NLD7Q;17SW2NLD7Q;85977-73-7;1H-Indole-3-butanethioic acid, S-phenyl ester;SCHEMBL9661378;DTXSID9058490;1-Indole-3-butanethioic acid, S-phenyl ester;Q27251932

Chemical Property of S-Phenyl indole-3-thiolobutyrate

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 295.10308534
• Heavy Atom Count: 21
• Complexity: 340

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SC(=O)CCCC2=CNC3=CC=CC=C32

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