2-(4-bromothiophen-3-yl)-5-chlorothiophene

C8H4BrClS2 — CID 54043939

IUPAC2-(4-bromothiophen-3-yl)-5-chlorothiophene
SMILESClc1ccc(-c2cscc2Br)s1
InChIInChI=1S/C8H4BrClS2/c9-6-4-11-3-5(6)7-1-2-8(10)12-7/h1-4H
InChIKeyUKISEGBZTXKZHA-UHFFFAOYSA-N
MW279.61 g/mol
LogP4.89
Rot. Bonds1

About 2-(4-bromothiophen-3-yl)-5-chlorothiophene

2-(4-bromothiophen-3-yl)-5-chlorothiophene (PubChem CID 54043939) has the molecular formula C8H4BrClS2 and a molecular weight of 279.61 g/mol. Its IUPAC name is 2-(4-bromothiophen-3-yl)-5-chlorothiophene.

Molecular Properties

Compound Name2-(4-bromothiophen-3-yl)-5-chlorothiophene
PubChem CID54043939
Molecular FormulaC8H4BrClS2
Molecular Weight279.61 g/mol
Exact Mass277.86
IUPAC Name2-(4-bromothiophen-3-yl)-5-chlorothiophene
SMILESClc1ccc(-c2cscc2Br)s1
InChIInChI=1S/C8H4BrClS2/c9-6-4-11-3-5(6)7-1-2-8(10)12-7/h1-4H
InChIKeyUKISEGBZTXKZHA-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.61
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-3-yl)-5-chlorothiophene?
The IUPAC name of 2-(4-bromothiophen-3-yl)-5-chlorothiophene (CID 54043939) is 2-(4-bromothiophen-3-yl)-5-chlorothiophene.
What is the SMILES notation for 2-(4-bromothiophen-3-yl)-5-chlorothiophene?
The canonical SMILES for 2-(4-bromothiophen-3-yl)-5-chlorothiophene is Clc1ccc(-c2cscc2Br)s1.
What is the InChIKey of 2-(4-bromothiophen-3-yl)-5-chlorothiophene?
The InChIKey is UKISEGBZTXKZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClS2/c9-6-4-11-3-5(6)7-1-2-8(10)12-7/h1-4H.
What are the key properties of 2-(4-bromothiophen-3-yl)-5-chlorothiophene?
2-(4-bromothiophen-3-yl)-5-chlorothiophene has a molecular weight of 279.61 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-3-yl)-5-chlorothiophene is sourced from PubChem (CID 54043939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).