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

C10H8BrClS — CID 130885317

IUPAC5-bromo-6-chloro-4-ethyl-1-benzothiophene
SMILESCCc1c(Br)c(Cl)cc2sccc12
InChIInChI=1S/C10H8BrClS/c1-2-6-7-3-4-13-9(7)5-8(12)10(6)11/h3-5H,2H2,1H3
InChIKeyYZJHUWCSNSEKHR-UHFFFAOYSA-N
MW275.60 g/mol
LogP4.88
Rot. Bonds1

About 5-bromo-6-chloro-4-ethyl-1-benzothiophene

5-bromo-6-chloro-4-ethyl-1-benzothiophene (PubChem CID 130885317) has the molecular formula C10H8BrClS and a molecular weight of 275.60 g/mol. Its IUPAC name is 5-bromo-6-chloro-4-ethyl-1-benzothiophene.

Molecular Properties

Compound Name5-bromo-6-chloro-4-ethyl-1-benzothiophene
PubChem CID130885317
Molecular FormulaC10H8BrClS
Molecular Weight275.60 g/mol
Exact Mass273.92
IUPAC Name5-bromo-6-chloro-4-ethyl-1-benzothiophene
SMILESCCc1c(Br)c(Cl)cc2sccc12
InChIInChI=1S/C10H8BrClS/c1-2-6-7-3-4-13-9(7)5-8(12)10(6)11/h3-5H,2H2,1H3
InChIKeyYZJHUWCSNSEKHR-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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Related Compounds

6-bromo-5-chloro-7-ethyl-1-benzothiophene
CID 130821097
5-bromo-4-(chloromethyl)-6-methyl-1-benzothiophene
CID 131031310
4-(bromomethyl)-5-ethyl-6-methyl-1-benzothiophene
CID 130956540
4-bromo-6-chloro-1-benzothiophene-5-carbonitrile
CID 130885303
5-bromo-4-chloro-6-methyl-1-benzothiophene
CID 130955248
4-ethyl-6-iodo-1-benzothiophen-5-amine
CID 130866246
7-bromo-5-chloro-6-ethyl-1-benzothiophene
CID 130821099
4,5,6-trichloro-1-benzothiophene
CID 91440805
(5-ethyl-6-sulfanyl-1-benzothiophen-4-yl)methanol
CID 131001484
4-ethyl-6-(hydroxymethyl)-1-benzothiophen-5-ol
CID 131196602
4-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene
CID 131123133
4-ethyl-5-methyl-1-benzothiophene-6-carbaldehyde
CID 130816876

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-4-ethyl-1-benzothiophene?
The IUPAC name of 5-bromo-6-chloro-4-ethyl-1-benzothiophene (CID 130885317) is 5-bromo-6-chloro-4-ethyl-1-benzothiophene.
What is the SMILES notation for 5-bromo-6-chloro-4-ethyl-1-benzothiophene?
The canonical SMILES for 5-bromo-6-chloro-4-ethyl-1-benzothiophene is CCc1c(Br)c(Cl)cc2sccc12.
What is the InChIKey of 5-bromo-6-chloro-4-ethyl-1-benzothiophene?
The InChIKey is YZJHUWCSNSEKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClS/c1-2-6-7-3-4-13-9(7)5-8(12)10(6)11/h3-5H,2H2,1H3.
What are the key properties of 5-bromo-6-chloro-4-ethyl-1-benzothiophene?
5-bromo-6-chloro-4-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-6-chloro-4-ethyl-1-benzothiophene is sourced from PubChem (CID 130885317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).