5-(Prop-2-yn-1-yl)thiopyrano[3,2-b]indol-4(5H)-one

Base Information

• Chemical Name: 5-(Prop-2-yn-1-yl)thiopyrano[3,2-b]indol-4(5H)-one
• CAS No.: 61164-60-1
• Molecular Formula: C14H9NOS
• DSSTox Substance ID: DTXSID00605458
• Wikidata: Q82503729
• Mol file: 61164-60-1.mol

Synonyms:61164-60-1;5-(Prop-2-yn-1-yl)thiopyrano[3,2-b]indol-4(5H)-one;SCHEMBL11615879;DTXSID00605458;LLWHPFFWGJXUIT-UHFFFAOYSA-N;5-Propargylthiopyrano[3,2-b]indol-4(5H)-one

Chemical Property of 5-(Prop-2-yn-1-yl)thiopyrano[3,2-b]indol-4(5H)-one

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 239.04048508
• Heavy Atom Count: 17
• Complexity: 408

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCN1C2=CC=CC=C2C3=C1C(=O)C=CS3