3-(2-bromophenyl)-1-benzothiophene

C14H9BrS — CID 134529579

IUPAC3-(2-bromophenyl)-1-benzothiophene
SMILESBrc1ccccc1-c1csc2ccccc12
InChIInChI=1S/C14H9BrS/c15-13-7-3-1-5-10(13)12-9-16-14-8-4-2-6-11(12)14/h1-9H
InChIKeyOMVKKQAVQSQONE-UHFFFAOYSA-N
MW289.20 g/mol
LogP5.33
Rot. Bonds1

About 3-(2-bromophenyl)-1-benzothiophene

3-(2-bromophenyl)-1-benzothiophene (PubChem CID 134529579) has the molecular formula C14H9BrS and a molecular weight of 289.20 g/mol. Its IUPAC name is 3-(2-bromophenyl)-1-benzothiophene.

Molecular Properties

Compound Name3-(2-bromophenyl)-1-benzothiophene
PubChem CID134529579
Molecular FormulaC14H9BrS
Molecular Weight289.20 g/mol
Exact Mass287.96
IUPAC Name3-(2-bromophenyl)-1-benzothiophene
SMILESBrc1ccccc1-c1csc2ccccc12
InChIInChI=1S/C14H9BrS/c15-13-7-3-1-5-10(13)12-9-16-14-8-4-2-6-11(12)14/h1-9H
InChIKeyOMVKKQAVQSQONE-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.20
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-1-benzothiophene?
The IUPAC name of 3-(2-bromophenyl)-1-benzothiophene (CID 134529579) is 3-(2-bromophenyl)-1-benzothiophene.
What is the SMILES notation for 3-(2-bromophenyl)-1-benzothiophene?
The canonical SMILES for 3-(2-bromophenyl)-1-benzothiophene is Brc1ccccc1-c1csc2ccccc12.
What is the InChIKey of 3-(2-bromophenyl)-1-benzothiophene?
The InChIKey is OMVKKQAVQSQONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrS/c15-13-7-3-1-5-10(13)12-9-16-14-8-4-2-6-11(12)14/h1-9H.
What are the key properties of 3-(2-bromophenyl)-1-benzothiophene?
3-(2-bromophenyl)-1-benzothiophene has a molecular weight of 289.20 g/mol, XLogP of 5.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-1-benzothiophene is sourced from PubChem (CID 134529579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).