2-(2-phenylethynyl)-5-thiophen-2-ylthiophene

C16H10S2 — CID 14454663

IUPAC2-(2-phenylethynyl)-5-thiophen-2-ylthiophene
SMILESC(#Cc1ccc(-c2cccs2)s1)c1ccccc1
InChIInChI=1S/C16H10S2/c1-2-5-13(6-3-1)8-9-14-10-11-16(18-14)15-7-4-12-17-15/h1-7,10-12H
InChIKeyWWHPIYBJGGQVOO-UHFFFAOYSA-N
MW266.39 g/mol
LogP4.88
Rot. Bonds1

About 2-(2-phenylethynyl)-5-thiophen-2-ylthiophene

2-(2-phenylethynyl)-5-thiophen-2-ylthiophene (PubChem CID 14454663) has the molecular formula C16H10S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-(2-phenylethynyl)-5-thiophen-2-ylthiophene.

Molecular Properties

Compound Name2-(2-phenylethynyl)-5-thiophen-2-ylthiophene
PubChem CID14454663
Molecular FormulaC16H10S2
Molecular Weight266.39 g/mol
Exact Mass266.02
IUPAC Name2-(2-phenylethynyl)-5-thiophen-2-ylthiophene
SMILESC(#Cc1ccc(-c2cccs2)s1)c1ccccc1
InChIInChI=1S/C16H10S2/c1-2-5-13(6-3-1)8-9-14-10-11-16(18-14)15-7-4-12-17-15/h1-7,10-12H
InChIKeyWWHPIYBJGGQVOO-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethynyl)-5-thiophen-2-ylthiophene?
The IUPAC name of 2-(2-phenylethynyl)-5-thiophen-2-ylthiophene (CID 14454663) is 2-(2-phenylethynyl)-5-thiophen-2-ylthiophene.
What is the SMILES notation for 2-(2-phenylethynyl)-5-thiophen-2-ylthiophene?
The canonical SMILES for 2-(2-phenylethynyl)-5-thiophen-2-ylthiophene is C(#Cc1ccc(-c2cccs2)s1)c1ccccc1.
What is the InChIKey of 2-(2-phenylethynyl)-5-thiophen-2-ylthiophene?
The InChIKey is WWHPIYBJGGQVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10S2/c1-2-5-13(6-3-1)8-9-14-10-11-16(18-14)15-7-4-12-17-15/h1-7,10-12H.
What are the key properties of 2-(2-phenylethynyl)-5-thiophen-2-ylthiophene?
2-(2-phenylethynyl)-5-thiophen-2-ylthiophene has a molecular weight of 266.39 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethynyl)-5-thiophen-2-ylthiophene is sourced from PubChem (CID 14454663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).