2-(3-bromophenyl)-5-chlorothiophene

C10H6BrClS — CID 83665088

IUPAC2-(3-bromophenyl)-5-chlorothiophene
SMILESClc1ccc(-c2cccc(Br)c2)s1
InChIInChI=1S/C10H6BrClS/c11-8-3-1-2-7(6-8)9-4-5-10(12)13-9/h1-6H
InChIKeyCIXJAEZRHZAZJN-UHFFFAOYSA-N
MW273.58 g/mol
LogP4.83
Rot. Bonds1

About 2-(3-bromophenyl)-5-chlorothiophene

2-(3-bromophenyl)-5-chlorothiophene (PubChem CID 83665088) has the molecular formula C10H6BrClS and a molecular weight of 273.58 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-chlorothiophene.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-chlorothiophene
PubChem CID83665088
Molecular FormulaC10H6BrClS
Molecular Weight273.58 g/mol
Exact Mass271.91
IUPAC Name2-(3-bromophenyl)-5-chlorothiophene
SMILESClc1ccc(-c2cccc(Br)c2)s1
InChIInChI=1S/C10H6BrClS/c11-8-3-1-2-7(6-8)9-4-5-10(12)13-9/h1-6H
InChIKeyCIXJAEZRHZAZJN-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.58
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5-chlorothiophene?
The IUPAC name of 2-(3-bromophenyl)-5-chlorothiophene (CID 83665088) is 2-(3-bromophenyl)-5-chlorothiophene.
What is the SMILES notation for 2-(3-bromophenyl)-5-chlorothiophene?
The canonical SMILES for 2-(3-bromophenyl)-5-chlorothiophene is Clc1ccc(-c2cccc(Br)c2)s1.
What is the InChIKey of 2-(3-bromophenyl)-5-chlorothiophene?
The InChIKey is CIXJAEZRHZAZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClS/c11-8-3-1-2-7(6-8)9-4-5-10(12)13-9/h1-6H.
What are the key properties of 2-(3-bromophenyl)-5-chlorothiophene?
2-(3-bromophenyl)-5-chlorothiophene has a molecular weight of 273.58 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5-chlorothiophene is sourced from PubChem (CID 83665088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).