7-bromo-3-(1-chloroethyl)-1-benzothiophene

C10H8BrClS — CID 81146817

IUPAC7-bromo-3-(1-chloroethyl)-1-benzothiophene
SMILESCC(Cl)c1csc2c(Br)cccc12
InChIInChI=1S/C10H8BrClS/c1-6(12)8-5-13-10-7(8)3-2-4-9(10)11/h2-6H,1H3
InChIKeyQCXQJVZAIKYQOV-UHFFFAOYSA-N
MW275.60 g/mol
LogP4.96
Rot. Bonds1

About 7-bromo-3-(1-chloroethyl)-1-benzothiophene

7-bromo-3-(1-chloroethyl)-1-benzothiophene (PubChem CID 81146817) has the molecular formula C10H8BrClS and a molecular weight of 275.60 g/mol. Its IUPAC name is 7-bromo-3-(1-chloroethyl)-1-benzothiophene.

Molecular Properties

Compound Name7-bromo-3-(1-chloroethyl)-1-benzothiophene
PubChem CID81146817
Molecular FormulaC10H8BrClS
Molecular Weight275.60 g/mol
Exact Mass273.92
IUPAC Name7-bromo-3-(1-chloroethyl)-1-benzothiophene
SMILESCC(Cl)c1csc2c(Br)cccc12
InChIInChI=1S/C10H8BrClS/c1-6(12)8-5-13-10-7(8)3-2-4-9(10)11/h2-6H,1H3
InChIKeyQCXQJVZAIKYQOV-UHFFFAOYSA-N
XLogP4.96
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 ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 7-bromo-3-(1-chloroethyl)-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

7-bromo-3-(1-chloro-2,2,2-trifluoroethyl)-1-benzothiophene
CID 81146675
7-bromo-3-[(2-bromo-5-methylphenyl)-chloromethyl]-1-benzothiophene
CID 81152926
7-bromo-3-[chloro-(2-fluoro-3-methylphenyl)methyl]-1-benzothiophene
CID 81477216
2-[(7-bromo-1-benzothiophen-3-yl)-chloromethyl]-5-methylfuran
CID 81147349
2-[(7-bromo-1-benzothiophen-3-yl)-chloromethyl]-3-methylfuran
CID 81153345
7-bromo-3-(1-bromo-2-methylpentyl)-1-benzothiophene
CID 81146687
7-bromo-3-[chloro-(3-methoxythiophen-2-yl)methyl]-1-benzothiophene
CID 81152927
7-bromo-3-[chloro-(2,4,6-trifluorophenyl)methyl]-1-benzothiophene
CID 81129145
7-bromo-3-[chloro-(3-fluoro-4-methylphenyl)methyl]-1-benzothiophene
CID 81154172
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-2-methylphenyl)methanol
CID 107098916
7-bromo-3-(1-bromo-3,5,5-trimethylhexyl)-1-benzothiophene
CID 81146415
(7-bromo-1-benzothiophen-3-yl)-(2-chlorophenyl)methanamine
CID 81142277

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(1-chloroethyl)-1-benzothiophene?
The IUPAC name of 7-bromo-3-(1-chloroethyl)-1-benzothiophene (CID 81146817) is 7-bromo-3-(1-chloroethyl)-1-benzothiophene.
What is the SMILES notation for 7-bromo-3-(1-chloroethyl)-1-benzothiophene?
The canonical SMILES for 7-bromo-3-(1-chloroethyl)-1-benzothiophene is CC(Cl)c1csc2c(Br)cccc12.
What is the InChIKey of 7-bromo-3-(1-chloroethyl)-1-benzothiophene?
The InChIKey is QCXQJVZAIKYQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClS/c1-6(12)8-5-13-10-7(8)3-2-4-9(10)11/h2-6H,1H3.
What are the key properties of 7-bromo-3-(1-chloroethyl)-1-benzothiophene?
7-bromo-3-(1-chloroethyl)-1-benzothiophene has a molecular weight of 275.60 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(1-chloroethyl)-1-benzothiophene is sourced from PubChem (CID 81146817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).