5-bromo-3-methylsulfinyl-1-benzofuran

C9H7BrO2S — CID 123759504

IUPAC5-bromo-3-methylsulfinyl-1-benzofuran
SMILESCS(=O)c1coc2ccc(Br)cc12
InChIInChI=1S/C9H7BrO2S/c1-13(11)9-5-12-8-3-2-6(10)4-7(8)9/h2-5H,1H3
InChIKeyAMTHWVOGGYWMLU-UHFFFAOYSA-N
MW259.12 g/mol
LogP2.93
Rot. Bonds1

About 5-bromo-3-methylsulfinyl-1-benzofuran

5-bromo-3-methylsulfinyl-1-benzofuran (PubChem CID 123759504) has the molecular formula C9H7BrO2S and a molecular weight of 259.12 g/mol. Its IUPAC name is 5-bromo-3-methylsulfinyl-1-benzofuran.

Molecular Properties

Compound Name5-bromo-3-methylsulfinyl-1-benzofuran
PubChem CID123759504
Molecular FormulaC9H7BrO2S
Molecular Weight259.12 g/mol
Exact Mass257.94
IUPAC Name5-bromo-3-methylsulfinyl-1-benzofuran
SMILESCS(=O)c1coc2ccc(Br)cc12
InChIInChI=1S/C9H7BrO2S/c1-13(11)9-5-12-8-3-2-6(10)4-7(8)9/h2-5H,1H3
InChIKeyAMTHWVOGGYWMLU-UHFFFAOYSA-N
XLogP2.93
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.12
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methylsulfinyl-1-benzofuran?
The IUPAC name of 5-bromo-3-methylsulfinyl-1-benzofuran (CID 123759504) is 5-bromo-3-methylsulfinyl-1-benzofuran.
What is the SMILES notation for 5-bromo-3-methylsulfinyl-1-benzofuran?
The canonical SMILES for 5-bromo-3-methylsulfinyl-1-benzofuran is CS(=O)c1coc2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-methylsulfinyl-1-benzofuran?
The InChIKey is AMTHWVOGGYWMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO2S/c1-13(11)9-5-12-8-3-2-6(10)4-7(8)9/h2-5H,1H3.
What are the key properties of 5-bromo-3-methylsulfinyl-1-benzofuran?
5-bromo-3-methylsulfinyl-1-benzofuran has a molecular weight of 259.12 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methylsulfinyl-1-benzofuran is sourced from PubChem (CID 123759504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).