2-bromo-5-[5-[(E)-2-(4-chlorophenyl)ethenyl]thiophen-2-yl]thiophene

C16H10BrClS2 — CID 46850584

IUPAC2-bromo-5-[5-[(E)-2-(4-chlorophenyl)ethenyl]thiophen-2-yl]thiophene
SMILESClc1ccc(/C=C/c2ccc(-c3ccc(Br)s3)s2)cc1
InChIInChI=1S/C16H10BrClS2/c17-16-10-9-15(20-16)14-8-7-13(19-14)6-3-11-1-4-12(18)5-2-11/h1-10H/b6-3+
InChIKeyFHPQSZOCZYYVHK-ZZXKWVIFSA-N
MW381.75 g/mol
LogP7.06
Rot. Bonds3

About 2-bromo-5-[5-[(E)-2-(4-chlorophenyl)ethenyl]thiophen-2-yl]thiophene

2-bromo-5-[5-[(E)-2-(4-chlorophenyl)ethenyl]thiophen-2-yl]thiophene (PubChem CID 46850584) has the molecular formula C16H10BrClS2 and a molecular weight of 381.75 g/mol. Its IUPAC name is 2-bromo-5-[5-[(E)-2-(4-chlorophenyl)ethenyl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[5-[(E)-2-(4-chlorophenyl)ethenyl]thiophen-2-yl]thiophene
PubChem CID46850584
Molecular FormulaC16H10BrClS2
Molecular Weight381.75 g/mol
Exact Mass379.91
IUPAC Name2-bromo-5-[5-[(E)-2-(4-chlorophenyl)ethenyl]thiophen-2-yl]thiophene
SMILESClc1ccc(/C=C/c2ccc(-c3ccc(Br)s3)s2)cc1
InChIInChI=1S/C16H10BrClS2/c17-16-10-9-15(20-16)14-8-7-13(19-14)6-3-11-1-4-12(18)5-2-11/h1-10H/b6-3+
InChIKeyFHPQSZOCZYYVHK-ZZXKWVIFSA-N
XLogP7.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.75
LogP ≤ 57.06
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-(4-chlorophenyl)ethenyl]thiophen-2-yl]thiophene?
The IUPAC name of 2-bromo-5-[5-[(E)-2-(4-chlorophenyl)ethenyl]thiophen-2-yl]thiophene (CID 46850584) is 2-bromo-5-[5-[(E)-2-(4-chlorophenyl)ethenyl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-bromo-5-[5-[(E)-2-(4-chlorophenyl)ethenyl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-bromo-5-[5-[(E)-2-(4-chlorophenyl)ethenyl]thiophen-2-yl]thiophene is Clc1ccc(/C=C/c2ccc(-c3ccc(Br)s3)s2)cc1.
What is the InChIKey of 2-bromo-5-[5-[(E)-2-(4-chlorophenyl)ethenyl]thiophen-2-yl]thiophene?
The InChIKey is FHPQSZOCZYYVHK-ZZXKWVIFSA-N. The full InChI is InChI=1S/C16H10BrClS2/c17-16-10-9-15(20-16)14-8-7-13(19-14)6-3-11-1-4-12(18)5-2-11/h1-10H/b6-3+.
What are the key properties of 2-bromo-5-[5-[(E)-2-(4-chlorophenyl)ethenyl]thiophen-2-yl]thiophene?
2-bromo-5-[5-[(E)-2-(4-chlorophenyl)ethenyl]thiophen-2-yl]thiophene has a molecular weight of 381.75 g/mol, XLogP of 7.06, 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-(4-chlorophenyl)ethenyl]thiophen-2-yl]thiophene is sourced from PubChem (CID 46850584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).