5-bromo-4-chloro-2-ethyl-1-benzothiophene

C10H8BrClS — CID 131030854

IUPAC5-bromo-4-chloro-2-ethyl-1-benzothiophene
SMILESCCc1cc2c(Cl)c(Br)ccc2s1
InChIInChI=1S/C10H8BrClS/c1-2-6-5-7-9(13-6)4-3-8(11)10(7)12/h3-5H,2H2,1H3
InChIKeyAIBOXCLOCACSIJ-UHFFFAOYSA-N
MW275.60 g/mol
LogP4.88
Rot. Bonds1

About 5-bromo-4-chloro-2-ethyl-1-benzothiophene

5-bromo-4-chloro-2-ethyl-1-benzothiophene (PubChem CID 131030854) has the molecular formula C10H8BrClS and a molecular weight of 275.60 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-ethyl-1-benzothiophene.

Molecular Properties

Compound Name5-bromo-4-chloro-2-ethyl-1-benzothiophene
PubChem CID131030854
Molecular FormulaC10H8BrClS
Molecular Weight275.60 g/mol
Exact Mass273.92
IUPAC Name5-bromo-4-chloro-2-ethyl-1-benzothiophene
SMILESCCc1cc2c(Cl)c(Br)ccc2s1
InChIInChI=1S/C10H8BrClS/c1-2-6-5-7-9(13-6)4-3-8(11)10(7)12/h3-5H,2H2,1H3
InChIKeyAIBOXCLOCACSIJ-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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-ethyl-1-benzothiophene?
The IUPAC name of 5-bromo-4-chloro-2-ethyl-1-benzothiophene (CID 131030854) is 5-bromo-4-chloro-2-ethyl-1-benzothiophene.
What is the SMILES notation for 5-bromo-4-chloro-2-ethyl-1-benzothiophene?
The canonical SMILES for 5-bromo-4-chloro-2-ethyl-1-benzothiophene is CCc1cc2c(Cl)c(Br)ccc2s1.
What is the InChIKey of 5-bromo-4-chloro-2-ethyl-1-benzothiophene?
The InChIKey is AIBOXCLOCACSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClS/c1-2-6-5-7-9(13-6)4-3-8(11)10(7)12/h3-5H,2H2,1H3.
What are the key properties of 5-bromo-4-chloro-2-ethyl-1-benzothiophene?
5-bromo-4-chloro-2-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 5-bromo-4-chloro-2-ethyl-1-benzothiophene is sourced from PubChem (CID 131030854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).