2-bromo-5-methylsulfonylthiophene

C5H5BrO2S2 — CID 17390281

IUPAC2-bromo-5-methylsulfonylthiophene
SMILESCS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C5H5BrO2S2/c1-10(7,8)5-3-2-4(6)9-5/h2-3H,1H3
InChIKeyUXQCEWGVFVQJAP-UHFFFAOYSA-N
MW241.13 g/mol
LogP1.91
Rot. Bonds1

About 2-bromo-5-methylsulfonylthiophene

2-bromo-5-methylsulfonylthiophene (PubChem CID 17390281) has the molecular formula C5H5BrO2S2 and a molecular weight of 241.13 g/mol. Its IUPAC name is 2-bromo-5-methylsulfonylthiophene.

Molecular Properties

Compound Name2-bromo-5-methylsulfonylthiophene
PubChem CID17390281
Molecular FormulaC5H5BrO2S2
Molecular Weight241.13 g/mol
Exact Mass239.89
IUPAC Name2-bromo-5-methylsulfonylthiophene
SMILESCS(=O)(=O)c1ccc(Br)s1
InChIInChI=1S/C5H5BrO2S2/c1-10(7,8)5-3-2-4(6)9-5/h2-3H,1H3
InChIKeyUXQCEWGVFVQJAP-UHFFFAOYSA-N
XLogP1.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methylsulfonylthiophene?
The IUPAC name of 2-bromo-5-methylsulfonylthiophene (CID 17390281) is 2-bromo-5-methylsulfonylthiophene.
What is the SMILES notation for 2-bromo-5-methylsulfonylthiophene?
The canonical SMILES for 2-bromo-5-methylsulfonylthiophene is CS(=O)(=O)c1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-methylsulfonylthiophene?
The InChIKey is UXQCEWGVFVQJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrO2S2/c1-10(7,8)5-3-2-4(6)9-5/h2-3H,1H3.
What are the key properties of 2-bromo-5-methylsulfonylthiophene?
2-bromo-5-methylsulfonylthiophene has a molecular weight of 241.13 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methylsulfonylthiophene is sourced from PubChem (CID 17390281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).