5-bromo-3-ethyl-1-benzothiophene

C10H9BrS — CID 11708535

IUPAC5-bromo-3-ethyl-1-benzothiophene
SMILESCCc1csc2ccc(Br)cc12
InChIInChI=1S/C10H9BrS/c1-2-7-6-12-10-4-3-8(11)5-9(7)10/h3-6H,2H2,1H3
InChIKeyZLCQJVURWZNGLK-UHFFFAOYSA-N
MW241.15 g/mol
LogP4.23
Rot. Bonds1

About 5-bromo-3-ethyl-1-benzothiophene

5-bromo-3-ethyl-1-benzothiophene (PubChem CID 11708535) has the molecular formula C10H9BrS and a molecular weight of 241.15 g/mol. Its IUPAC name is 5-bromo-3-ethyl-1-benzothiophene.

Molecular Properties

Compound Name5-bromo-3-ethyl-1-benzothiophene
PubChem CID11708535
Molecular FormulaC10H9BrS
Molecular Weight241.15 g/mol
Exact Mass239.96
IUPAC Name5-bromo-3-ethyl-1-benzothiophene
SMILESCCc1csc2ccc(Br)cc12
InChIInChI=1S/C10H9BrS/c1-2-7-6-12-10-4-3-8(11)5-9(7)10/h3-6H,2H2,1H3
InChIKeyZLCQJVURWZNGLK-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.15
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-1-benzothiophen-3-yl)methyl-diethylazanium
CID 6947550
N-[2-(5-bromo-1-benzothiophen-3-yl)ethyl]propan-1-amine
CID 81048729
3-ethyl-5-iodo-1-benzothiophene
CID 20678685
5-bromo-3-prop-2-enyl-1-benzothiophene
CID 154710400
3-(5-bromo-1-benzothiophen-3-yl)-2-methylpropanoic acid
CID 117120735
(5-bromo-1-benzothiophen-3-yl)methyl-ethyl-(2-hydroxyethyl)azanium
CID 6947057
5-bromo-3-[(sulfinoamino)methyl]-1-benzothiophene
CID 68984698
3-ethyl-5-methylsulfanyl-1-benzothiophene
CID 146510134
(5-bromo-1-benzothiophen-3-yl)methyl-(2-hydroxyethyl)-methylazanium
CID 6947090
N-[2-(5-bromo-1-benzothiophen-3-yl)ethyl]-2-methylpropan-2-amine
CID 81049656
N-(5-bromo-1-benzothiophen-3-yl)acetamide
CID 615287
1-[(5-bromo-1-benzothiophen-3-yl)methyl]piperazine
CID 117174683

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-ethyl-1-benzothiophene?
The IUPAC name of 5-bromo-3-ethyl-1-benzothiophene (CID 11708535) is 5-bromo-3-ethyl-1-benzothiophene.
What is the SMILES notation for 5-bromo-3-ethyl-1-benzothiophene?
The canonical SMILES for 5-bromo-3-ethyl-1-benzothiophene is CCc1csc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-ethyl-1-benzothiophene?
The InChIKey is ZLCQJVURWZNGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrS/c1-2-7-6-12-10-4-3-8(11)5-9(7)10/h3-6H,2H2,1H3.
What are the key properties of 5-bromo-3-ethyl-1-benzothiophene?
5-bromo-3-ethyl-1-benzothiophene has a molecular weight of 241.15 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-ethyl-1-benzothiophene is sourced from PubChem (CID 11708535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).