6-bromo-4-chloro-3-ethyl-1-benzothiophene

C10H8BrClS — CID 131119385

IUPAC6-bromo-4-chloro-3-ethyl-1-benzothiophene
SMILESCCc1csc2cc(Br)cc(Cl)c12
InChIInChI=1S/C10H8BrClS/c1-2-6-5-13-9-4-7(11)3-8(12)10(6)9/h3-5H,2H2,1H3
InChIKeyNWTMAUPDNXZYTK-UHFFFAOYSA-N
MW275.60 g/mol
LogP4.88
Rot. Bonds1

About 6-bromo-4-chloro-3-ethyl-1-benzothiophene

6-bromo-4-chloro-3-ethyl-1-benzothiophene (PubChem CID 131119385) has the molecular formula C10H8BrClS and a molecular weight of 275.60 g/mol. Its IUPAC name is 6-bromo-4-chloro-3-ethyl-1-benzothiophene.

Molecular Properties

Compound Name6-bromo-4-chloro-3-ethyl-1-benzothiophene
PubChem CID131119385
Molecular FormulaC10H8BrClS
Molecular Weight275.60 g/mol
Exact Mass273.92
IUPAC Name6-bromo-4-chloro-3-ethyl-1-benzothiophene
SMILESCCc1csc2cc(Br)cc(Cl)c12
InChIInChI=1S/C10H8BrClS/c1-2-6-5-13-9-4-7(11)3-8(12)10(6)9/h3-5H,2H2,1H3
InChIKeyNWTMAUPDNXZYTK-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 6-bromo-4-chloro-3-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-4-chloro-3-methylsulfanyl-1-benzothiophene
CID 131002166
methyl 2-(4-chloro-6-hydroxy-1-benzothiophen-3-yl)acetate
CID 20770824
6-bromo-3-chloro-1-benzothiophen-4-ol
CID 130925677
5-bromo-3-ethyl-1-benzothiophene
CID 11708535
3-bromo-6-(bromomethyl)-4-ethyl-1-benzothiophene
CID 131098238
5-bromo-2-chloro-1,3-diethylbenzene
CID 44891102
6-(bromomethyl)-3-ethyl-1-benzothiophen-4-amine
CID 131138124
[3-(bromomethyl)-4-chloro-1-benzothiophen-6-yl]methanol
CID 131014350
6-bromo-3-chloro-4-(difluoromethyl)-1-benzothiophene
CID 130961129
5-(bromomethyl)-3-chloro-6-ethyl-1-benzothiophene
CID 130840069
6-bromo-4-(hydroxymethyl)-1-benzothiophen-3-ol
CID 130970840
6-bromo-4-chloro-1,2-benzothiazol-3-one
CID 178022999

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-3-ethyl-1-benzothiophene?
The IUPAC name of 6-bromo-4-chloro-3-ethyl-1-benzothiophene (CID 131119385) is 6-bromo-4-chloro-3-ethyl-1-benzothiophene.
What is the SMILES notation for 6-bromo-4-chloro-3-ethyl-1-benzothiophene?
The canonical SMILES for 6-bromo-4-chloro-3-ethyl-1-benzothiophene is CCc1csc2cc(Br)cc(Cl)c12.
What is the InChIKey of 6-bromo-4-chloro-3-ethyl-1-benzothiophene?
The InChIKey is NWTMAUPDNXZYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClS/c1-2-6-5-13-9-4-7(11)3-8(12)10(6)9/h3-5H,2H2,1H3.
What are the key properties of 6-bromo-4-chloro-3-ethyl-1-benzothiophene?
6-bromo-4-chloro-3-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 6-bromo-4-chloro-3-ethyl-1-benzothiophene is sourced from PubChem (CID 131119385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).