2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-ylthiophene

C17H14S2 — CID 53330120

IUPAC2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-ylthiophene
SMILESCc1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1
InChIInChI=1S/C17H14S2/c1-13-4-6-14(7-5-13)8-9-15-10-11-17(19-15)16-3-2-12-18-16/h2-12H,1H3/b9-8+
InChIKeyRUAFGPTYAQIUFV-CMDGGOBGSA-N
MW282.43 g/mol
LogP5.96
Rot. Bonds3

About 2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-ylthiophene

2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-ylthiophene (PubChem CID 53330120) has the molecular formula C17H14S2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-ylthiophene.

Molecular Properties

Compound Name2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-ylthiophene
PubChem CID53330120
Molecular FormulaC17H14S2
Molecular Weight282.43 g/mol
Exact Mass282.05
IUPAC Name2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-ylthiophene
SMILESCc1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1
InChIInChI=1S/C17H14S2/c1-13-4-6-14(7-5-13)8-9-15-10-11-17(19-15)16-3-2-12-18-16/h2-12H,1H3/b9-8+
InChIKeyRUAFGPTYAQIUFV-CMDGGOBGSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-ylthiophene?
The IUPAC name of 2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-ylthiophene (CID 53330120) is 2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-ylthiophene.
What is the SMILES notation for 2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-ylthiophene?
The canonical SMILES for 2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-ylthiophene is Cc1ccc(/C=C/c2ccc(-c3cccs3)s2)cc1.
What is the InChIKey of 2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-ylthiophene?
The InChIKey is RUAFGPTYAQIUFV-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H14S2/c1-13-4-6-14(7-5-13)8-9-15-10-11-17(19-15)16-3-2-12-18-16/h2-12H,1H3/b9-8+.
What are the key properties of 2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-ylthiophene?
2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-ylthiophene has a molecular weight of 282.43 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-ylthiophene is sourced from PubChem (CID 53330120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).