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

C10H8BrClS — CID 130821097

IUPAC6-bromo-5-chloro-7-ethyl-1-benzothiophene
SMILESCCc1c(Br)c(Cl)cc2ccsc12
InChIInChI=1S/C10H8BrClS/c1-2-7-9(11)8(12)5-6-3-4-13-10(6)7/h3-5H,2H2,1H3
InChIKeyUQWDWQHNPJPPAX-UHFFFAOYSA-N
MW275.60 g/mol
LogP4.88
Rot. Bonds1

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

6-bromo-5-chloro-7-ethyl-1-benzothiophene (PubChem CID 130821097) has the molecular formula C10H8BrClS and a molecular weight of 275.60 g/mol. Its IUPAC name is 6-bromo-5-chloro-7-ethyl-1-benzothiophene.

Molecular Properties

Compound Name6-bromo-5-chloro-7-ethyl-1-benzothiophene
PubChem CID130821097
Molecular FormulaC10H8BrClS
Molecular Weight275.60 g/mol
Exact Mass273.92
IUPAC Name6-bromo-5-chloro-7-ethyl-1-benzothiophene
SMILESCCc1c(Br)c(Cl)cc2ccsc12
InChIInChI=1S/C10H8BrClS/c1-2-7-9(11)8(12)5-6-3-4-13-10(6)7/h3-5H,2H2,1H3
InChIKeyUQWDWQHNPJPPAX-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

7-bromo-5-chloro-6-ethyl-1-benzothiophene
CID 130821099
5,7-dichloro-6-ethyl-1-benzothiophene
CID 130969196
5-chloro-6-ethyl-7-fluoro-1-benzothiophene
CID 130805773
5-bromo-6-chloro-4-ethyl-1-benzothiophene
CID 130885317
(5-bromo-7-ethyl-1-benzothiophen-6-yl)methanol
CID 130898537
7-chloro-5-methyl-1-benzothiophene
CID 66806727
6-ethyl-1-benzothiophene-5,7-diol
CID 131098438
(5-bromo-6-chloro-1-benzothiophen-7-yl)methanol
CID 130821217
7-bromo-5-ethyl-1-benzothiophen-6-ol
CID 130955960
6-bromo-5-ethyl-1-benzothiophene-7-thiol
CID 130901233
7-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene
CID 130854626
5-chloro-4,7-diethyl-1-benzothiophene
CID 131059958

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-chloro-7-ethyl-1-benzothiophene?
The IUPAC name of 6-bromo-5-chloro-7-ethyl-1-benzothiophene (CID 130821097) is 6-bromo-5-chloro-7-ethyl-1-benzothiophene.
What is the SMILES notation for 6-bromo-5-chloro-7-ethyl-1-benzothiophene?
The canonical SMILES for 6-bromo-5-chloro-7-ethyl-1-benzothiophene is CCc1c(Br)c(Cl)cc2ccsc12.
What is the InChIKey of 6-bromo-5-chloro-7-ethyl-1-benzothiophene?
The InChIKey is UQWDWQHNPJPPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClS/c1-2-7-9(11)8(12)5-6-3-4-13-10(6)7/h3-5H,2H2,1H3.
What are the key properties of 6-bromo-5-chloro-7-ethyl-1-benzothiophene?
6-bromo-5-chloro-7-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-5-chloro-7-ethyl-1-benzothiophene is sourced from PubChem (CID 130821097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).