3-(1-bromonaphthalen-2-yl)thiophene

C14H9BrS — CID 68643635

IUPAC3-(1-bromonaphthalen-2-yl)thiophene
SMILESBrc1c(-c2ccsc2)ccc2ccccc12
InChIInChI=1S/C14H9BrS/c15-14-12-4-2-1-3-10(12)5-6-13(14)11-7-8-16-9-11/h1-9H
InChIKeyFYZIIMKWWQHKSE-UHFFFAOYSA-N
MW289.20 g/mol
LogP5.33
Rot. Bonds1

About 3-(1-bromonaphthalen-2-yl)thiophene

3-(1-bromonaphthalen-2-yl)thiophene (PubChem CID 68643635) has the molecular formula C14H9BrS and a molecular weight of 289.20 g/mol. Its IUPAC name is 3-(1-bromonaphthalen-2-yl)thiophene.

Molecular Properties

Compound Name3-(1-bromonaphthalen-2-yl)thiophene
PubChem CID68643635
Molecular FormulaC14H9BrS
Molecular Weight289.20 g/mol
Exact Mass287.96
IUPAC Name3-(1-bromonaphthalen-2-yl)thiophene
SMILESBrc1c(-c2ccsc2)ccc2ccccc12
InChIInChI=1S/C14H9BrS/c15-14-12-4-2-1-3-10(12)5-6-13(14)11-7-8-16-9-11/h1-9H
InChIKeyFYZIIMKWWQHKSE-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-(1-bromonaphthalen-2-yl)thiophene?
The IUPAC name of 3-(1-bromonaphthalen-2-yl)thiophene (CID 68643635) is 3-(1-bromonaphthalen-2-yl)thiophene.
What is the SMILES notation for 3-(1-bromonaphthalen-2-yl)thiophene?
The canonical SMILES for 3-(1-bromonaphthalen-2-yl)thiophene is Brc1c(-c2ccsc2)ccc2ccccc12.
What is the InChIKey of 3-(1-bromonaphthalen-2-yl)thiophene?
The InChIKey is FYZIIMKWWQHKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrS/c15-14-12-4-2-1-3-10(12)5-6-13(14)11-7-8-16-9-11/h1-9H.
What are the key properties of 3-(1-bromonaphthalen-2-yl)thiophene?
3-(1-bromonaphthalen-2-yl)thiophene 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-(1-bromonaphthalen-2-yl)thiophene is sourced from PubChem (CID 68643635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).