Thiophene, 2-[(4-methylphenyl)ethynyl]-

Base Information

• Chemical Name: Thiophene, 2-[(4-methylphenyl)ethynyl]-
• CAS No.: 80746-49-2
• Molecular Formula: C13H10S
• DSSTox Substance ID: DTXSID90396565
• Nikkaji Number: J2.472.116G
• Wikidata: Q82197341
• ChEMBL ID: CHEMBL220561
• Mol file: 80746-49-2.mol

Synonyms:80746-49-2;2-[2-(4-methylphenyl)ethynyl]thiophene;Thiophene, 2-[(4-methylphenyl)ethynyl]-;2-p-tolylethynyl-thiophene;2-(p-tolylethynyl)thiophene;CHEMBL220561;4-[(2-Thienyl)ethynyl]toluene;SCHEMBL12744375;DTXSID90396565;MFCD04003890

Chemical Property of Thiophene, 2-[(4-methylphenyl)ethynyl]-

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 198.05032149
• Heavy Atom Count: 14
• Complexity: 237

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C#CC2=CC=CS2