2-(5-bromo-2-methylthiophen-3-yl)acetic acid

C7H7BrO2S — CID 65365545

IUPAC2-(5-bromo-2-methylthiophen-3-yl)acetic acid
SMILESCc1sc(Br)cc1CC(=O)O
InChIInChI=1S/C7H7BrO2S/c1-4-5(3-7(9)10)2-6(8)11-4/h2H,3H2,1H3,(H,9,10)
InChIKeyXXQURUSYXUFAMP-UHFFFAOYSA-N
MW235.10 g/mol
LogP2.45
Rot. Bonds2

About 2-(5-bromo-2-methylthiophen-3-yl)acetic acid

2-(5-bromo-2-methylthiophen-3-yl)acetic acid (PubChem CID 65365545) has the molecular formula C7H7BrO2S and a molecular weight of 235.10 g/mol. Its IUPAC name is 2-(5-bromo-2-methylthiophen-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-2-methylthiophen-3-yl)acetic acid
PubChem CID65365545
Molecular FormulaC7H7BrO2S
Molecular Weight235.10 g/mol
Exact Mass233.94
IUPAC Name2-(5-bromo-2-methylthiophen-3-yl)acetic acid
SMILESCc1sc(Br)cc1CC(=O)O
InChIInChI=1S/C7H7BrO2S/c1-4-5(3-7(9)10)2-6(8)11-4/h2H,3H2,1H3,(H,9,10)
InChIKeyXXQURUSYXUFAMP-UHFFFAOYSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.10
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methylthiophen-3-yl)acetic acid?
The IUPAC name of 2-(5-bromo-2-methylthiophen-3-yl)acetic acid (CID 65365545) is 2-(5-bromo-2-methylthiophen-3-yl)acetic acid.
What is the SMILES notation for 2-(5-bromo-2-methylthiophen-3-yl)acetic acid?
The canonical SMILES for 2-(5-bromo-2-methylthiophen-3-yl)acetic acid is Cc1sc(Br)cc1CC(=O)O.
What is the InChIKey of 2-(5-bromo-2-methylthiophen-3-yl)acetic acid?
The InChIKey is XXQURUSYXUFAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrO2S/c1-4-5(3-7(9)10)2-6(8)11-4/h2H,3H2,1H3,(H,9,10).
What are the key properties of 2-(5-bromo-2-methylthiophen-3-yl)acetic acid?
2-(5-bromo-2-methylthiophen-3-yl)acetic acid has a molecular weight of 235.10 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methylthiophen-3-yl)acetic acid is sourced from PubChem (CID 65365545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).