2-[(E)-2-phenylethenyl]-5-thiophen-2-ylthiophene

C16H12S2 — CID 15616761

IUPAC2-[(E)-2-phenylethenyl]-5-thiophen-2-ylthiophene
SMILESC(=C/c1ccc(-c2cccs2)s1)\c1ccccc1
InChIInChI=1S/C16H12S2/c1-2-5-13(6-3-1)8-9-14-10-11-16(18-14)15-7-4-12-17-15/h1-12H/b9-8+
InChIKeyWJDROJDGHPBMFV-CMDGGOBGSA-N
MW268.41 g/mol
LogP5.65
Rot. Bonds3

About 2-[(E)-2-phenylethenyl]-5-thiophen-2-ylthiophene

2-[(E)-2-phenylethenyl]-5-thiophen-2-ylthiophene (PubChem CID 15616761) has the molecular formula C16H12S2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-5-thiophen-2-ylthiophene.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-5-thiophen-2-ylthiophene
PubChem CID15616761
Molecular FormulaC16H12S2
Molecular Weight268.41 g/mol
Exact Mass268.04
IUPAC Name2-[(E)-2-phenylethenyl]-5-thiophen-2-ylthiophene
SMILESC(=C/c1ccc(-c2cccs2)s1)\c1ccccc1
InChIInChI=1S/C16H12S2/c1-2-5-13(6-3-1)8-9-14-10-11-16(18-14)15-7-4-12-17-15/h1-12H/b9-8+
InChIKeyWJDROJDGHPBMFV-CMDGGOBGSA-N
XLogP5.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.41
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-5-thiophen-2-ylthiophene?
The IUPAC name of 2-[(E)-2-phenylethenyl]-5-thiophen-2-ylthiophene (CID 15616761) is 2-[(E)-2-phenylethenyl]-5-thiophen-2-ylthiophene.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-5-thiophen-2-ylthiophene?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-5-thiophen-2-ylthiophene is C(=C/c1ccc(-c2cccs2)s1)\c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-5-thiophen-2-ylthiophene?
The InChIKey is WJDROJDGHPBMFV-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H12S2/c1-2-5-13(6-3-1)8-9-14-10-11-16(18-14)15-7-4-12-17-15/h1-12H/b9-8+.
What are the key properties of 2-[(E)-2-phenylethenyl]-5-thiophen-2-ylthiophene?
2-[(E)-2-phenylethenyl]-5-thiophen-2-ylthiophene has a molecular weight of 268.41 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-5-thiophen-2-ylthiophene is sourced from PubChem (CID 15616761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).