2-bromo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene

C16H11BrS2 — CID 46850583

IUPAC2-bromo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene
SMILESBrc1ccc(-c2ccc(/C=C/c3ccccc3)s2)s1
InChIInChI=1S/C16H11BrS2/c17-16-11-10-15(19-16)14-9-8-13(18-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+
InChIKeyYUKKLMLXFJDUNB-VOTSOKGWSA-N
MW347.30 g/mol
LogP6.41
Rot. Bonds3

About 2-bromo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene

2-bromo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene (PubChem CID 46850583) has the molecular formula C16H11BrS2 and a molecular weight of 347.30 g/mol. Its IUPAC name is 2-bromo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene
PubChem CID46850583
Molecular FormulaC16H11BrS2
Molecular Weight347.30 g/mol
Exact Mass345.95
IUPAC Name2-bromo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene
SMILESBrc1ccc(-c2ccc(/C=C/c3ccccc3)s2)s1
InChIInChI=1S/C16H11BrS2/c17-16-11-10-15(19-16)14-9-8-13(18-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+
InChIKeyYUKKLMLXFJDUNB-VOTSOKGWSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.30
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene?
The IUPAC name of 2-bromo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene (CID 46850583) is 2-bromo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-bromo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-bromo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene is Brc1ccc(-c2ccc(/C=C/c3ccccc3)s2)s1.
What is the InChIKey of 2-bromo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene?
The InChIKey is YUKKLMLXFJDUNB-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H11BrS2/c17-16-11-10-15(19-16)14-9-8-13(18-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+.
What are the key properties of 2-bromo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene?
2-bromo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene has a molecular weight of 347.30 g/mol, XLogP of 6.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[5-[(E)-2-phenylethenyl]thiophen-2-yl]thiophene is sourced from PubChem (CID 46850583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).