5-bromo-4,7-dimethoxy-1-benzothiophene

C10H9BrO2S — CID 130914431

IUPAC5-bromo-4,7-dimethoxy-1-benzothiophene
SMILESCOc1c(Br)cc(OC)c2sccc12
InChIInChI=1S/C10H9BrO2S/c1-12-8-5-7(11)9(13-2)6-3-4-14-10(6)8/h3-5H,1-2H3
InChIKeyXHAAGEIDCGOCIE-UHFFFAOYSA-N
MW273.15 g/mol
LogP3.68
Rot. Bonds2

About 5-bromo-4,7-dimethoxy-1-benzothiophene

5-bromo-4,7-dimethoxy-1-benzothiophene (PubChem CID 130914431) has the molecular formula C10H9BrO2S and a molecular weight of 273.15 g/mol. Its IUPAC name is 5-bromo-4,7-dimethoxy-1-benzothiophene.

Molecular Properties

Compound Name5-bromo-4,7-dimethoxy-1-benzothiophene
PubChem CID130914431
Molecular FormulaC10H9BrO2S
Molecular Weight273.15 g/mol
Exact Mass271.95
IUPAC Name5-bromo-4,7-dimethoxy-1-benzothiophene
SMILESCOc1c(Br)cc(OC)c2sccc12
InChIInChI=1S/C10H9BrO2S/c1-12-8-5-7(11)9(13-2)6-3-4-14-10(6)8/h3-5H,1-2H3
InChIKeyXHAAGEIDCGOCIE-UHFFFAOYSA-N
XLogP3.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-7-methoxy-1-benzothiophene
CID 130926286
4,7-dimethoxy-1-benzothiophene
CID 11095506
4-iodo-6,7-dimethoxy-1-benzothiophene
CID 131033981
5-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde
CID 130821345
4-iodo-7-methoxy-1-benzothiophen-5-amine
CID 130788772
4-chloro-7-methoxy-1-benzothiophen-5-amine
CID 131060040
4-bromo-6-ethoxy-7-methyl-1-benzothiophene
CID 130866038
(4-fluoro-7-methoxy-1-benzothiophen-5-yl)methanol
CID 130987107
4-iodo-6-methoxy-1-benzothiophene-7-thiol
CID 131053809
6,7-dimethoxy-1-benzothiophene
CID 23321121
4,6-diiodo-7-methoxy-1-benzothiophene
CID 130926208
4-methoxythieno[2,3-f][1]benzothiol-8-ol
CID 144770940

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4,7-dimethoxy-1-benzothiophene?
The IUPAC name of 5-bromo-4,7-dimethoxy-1-benzothiophene (CID 130914431) is 5-bromo-4,7-dimethoxy-1-benzothiophene.
What is the SMILES notation for 5-bromo-4,7-dimethoxy-1-benzothiophene?
The canonical SMILES for 5-bromo-4,7-dimethoxy-1-benzothiophene is COc1c(Br)cc(OC)c2sccc12.
What is the InChIKey of 5-bromo-4,7-dimethoxy-1-benzothiophene?
The InChIKey is XHAAGEIDCGOCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2S/c1-12-8-5-7(11)9(13-2)6-3-4-14-10(6)8/h3-5H,1-2H3.
What are the key properties of 5-bromo-4,7-dimethoxy-1-benzothiophene?
5-bromo-4,7-dimethoxy-1-benzothiophene has a molecular weight of 273.15 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4,7-dimethoxy-1-benzothiophene is sourced from PubChem (CID 130914431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).