2-Propynal, 3-(2-thienyl)-

Base Information

• Chemical Name: 2-Propynal, 3-(2-thienyl)-
• CAS No.: 13781-33-4
• Molecular Formula: C7H4OS
• Molecular Weight: 136.174
• DSSTox Substance ID: DTXSID10415787
• Nikkaji Number: J1.252.686E
• Wikidata: Q82224776
• Mol file: 13781-33-4.mol

Synonyms:2-Propynal, 3-(2-thienyl)-;13781-33-4;3-(2-Thienyl)propynal;SCHEMBL3834463;DTXSID10415787;AKOS006373708

Chemical Property of 2-Propynal, 3-(2-thienyl)-

Chemical Property:

• Boiling Point: 261.3±13.0 °C(Predicted)
• PSA: 45.31000
• Density: 1.24±0.1 g/cm3(Predicted)
• LogP: 1.29850
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 135.99828592
• Heavy Atom Count: 9
• Complexity: 162

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CSC(=C1)C#CC=O