2-[(E)-2-(2-bromophenyl)ethenyl]-5-methylthiophene

C13H11BrS — CID 139262447

IUPAC2-[(E)-2-(2-bromophenyl)ethenyl]-5-methylthiophene
SMILESCc1ccc(/C=C/c2ccccc2Br)s1
InChIInChI=1S/C13H11BrS/c1-10-6-8-12(15-10)9-7-11-4-2-3-5-13(11)14/h2-9H,1H3/b9-7+
InChIKeyQKQPSCCQUUICEN-VQHVLOKHSA-N
MW279.20 g/mol
LogP4.99
Rot. Bonds2

About 2-[(E)-2-(2-bromophenyl)ethenyl]-5-methylthiophene

2-[(E)-2-(2-bromophenyl)ethenyl]-5-methylthiophene (PubChem CID 139262447) has the molecular formula C13H11BrS and a molecular weight of 279.20 g/mol. Its IUPAC name is 2-[(E)-2-(2-bromophenyl)ethenyl]-5-methylthiophene.

Molecular Properties

Compound Name2-[(E)-2-(2-bromophenyl)ethenyl]-5-methylthiophene
PubChem CID139262447
Molecular FormulaC13H11BrS
Molecular Weight279.20 g/mol
Exact Mass277.98
IUPAC Name2-[(E)-2-(2-bromophenyl)ethenyl]-5-methylthiophene
SMILESCc1ccc(/C=C/c2ccccc2Br)s1
InChIInChI=1S/C13H11BrS/c1-10-6-8-12(15-10)9-7-11-4-2-3-5-13(11)14/h2-9H,1H3/b9-7+
InChIKeyQKQPSCCQUUICEN-VQHVLOKHSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.20
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-bromophenyl)ethenyl]-5-methylthiophene?
The IUPAC name of 2-[(E)-2-(2-bromophenyl)ethenyl]-5-methylthiophene (CID 139262447) is 2-[(E)-2-(2-bromophenyl)ethenyl]-5-methylthiophene.
What is the SMILES notation for 2-[(E)-2-(2-bromophenyl)ethenyl]-5-methylthiophene?
The canonical SMILES for 2-[(E)-2-(2-bromophenyl)ethenyl]-5-methylthiophene is Cc1ccc(/C=C/c2ccccc2Br)s1.
What is the InChIKey of 2-[(E)-2-(2-bromophenyl)ethenyl]-5-methylthiophene?
The InChIKey is QKQPSCCQUUICEN-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H11BrS/c1-10-6-8-12(15-10)9-7-11-4-2-3-5-13(11)14/h2-9H,1H3/b9-7+.
What are the key properties of 2-[(E)-2-(2-bromophenyl)ethenyl]-5-methylthiophene?
2-[(E)-2-(2-bromophenyl)ethenyl]-5-methylthiophene has a molecular weight of 279.20 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-bromophenyl)ethenyl]-5-methylthiophene is sourced from PubChem (CID 139262447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).