7-bromo-5-chloro-6-ethyl-1-benzothiophene

C10H8BrClS — CID 130821099

IUPAC7-bromo-5-chloro-6-ethyl-1-benzothiophene
SMILESCCc1c(Cl)cc2ccsc2c1Br
InChIInChI=1S/C10H8BrClS/c1-2-7-8(12)5-6-3-4-13-10(6)9(7)11/h3-5H,2H2,1H3
InChIKeyWARWCALFBODYFY-UHFFFAOYSA-N
MW275.60 g/mol
LogP4.88
Rot. Bonds1

About 7-bromo-5-chloro-6-ethyl-1-benzothiophene

7-bromo-5-chloro-6-ethyl-1-benzothiophene (PubChem CID 130821099) has the molecular formula C10H8BrClS and a molecular weight of 275.60 g/mol. Its IUPAC name is 7-bromo-5-chloro-6-ethyl-1-benzothiophene.

Molecular Properties

Compound Name7-bromo-5-chloro-6-ethyl-1-benzothiophene
PubChem CID130821099
Molecular FormulaC10H8BrClS
Molecular Weight275.60 g/mol
Exact Mass273.92
IUPAC Name7-bromo-5-chloro-6-ethyl-1-benzothiophene
SMILESCCc1c(Cl)cc2ccsc2c1Br
InChIInChI=1S/C10H8BrClS/c1-2-7-8(12)5-6-3-4-13-10(6)9(7)11/h3-5H,2H2,1H3
InChIKeyWARWCALFBODYFY-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.60
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-bromo-5-chloro-6-ethyl-1-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-5-chloro-7-ethyl-1-benzothiophene
CID 130821097
5,7-dichloro-6-ethyl-1-benzothiophene
CID 130969196
5-chloro-6-ethyl-7-fluoro-1-benzothiophene
CID 130805773
7-bromo-5-ethyl-1-benzothiophen-6-ol
CID 130955960
(5-bromo-7-ethyl-1-benzothiophen-6-yl)methanol
CID 130898537
5-chloro-4,7-diethyl-1-benzothiophene
CID 131059958
7-chloro-5-methyl-1-benzothiophene
CID 66806727
7-bromo-6-chloro-1-benzothiophene-5-thiol
CID 131030970
6-ethyl-1-benzothiophene-5,7-diol
CID 131098438
5-chloro-6-(hydroxymethyl)-1-benzothiophene-7-carbaldehyde
CID 130956878
6-bromo-5-ethyl-1-benzothiophene-7-thiol
CID 130901233
5-bromo-6-chloro-4-ethyl-1-benzothiophene
CID 130885317

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-chloro-6-ethyl-1-benzothiophene?
The IUPAC name of 7-bromo-5-chloro-6-ethyl-1-benzothiophene (CID 130821099) is 7-bromo-5-chloro-6-ethyl-1-benzothiophene.
What is the SMILES notation for 7-bromo-5-chloro-6-ethyl-1-benzothiophene?
The canonical SMILES for 7-bromo-5-chloro-6-ethyl-1-benzothiophene is CCc1c(Cl)cc2ccsc2c1Br.
What is the InChIKey of 7-bromo-5-chloro-6-ethyl-1-benzothiophene?
The InChIKey is WARWCALFBODYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClS/c1-2-7-8(12)5-6-3-4-13-10(6)9(7)11/h3-5H,2H2,1H3.
What are the key properties of 7-bromo-5-chloro-6-ethyl-1-benzothiophene?
7-bromo-5-chloro-6-ethyl-1-benzothiophene has a molecular weight of 275.60 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-chloro-6-ethyl-1-benzothiophene is sourced from PubChem (CID 130821099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).