3-bromothiophene-2-sulfonic acid

C4H3BrO3S2 — CID 22485768

IUPAC3-bromothiophene-2-sulfonic acid
SMILESO=S(=O)(O)c1sccc1Br
InChIInChI=1S/C4H3BrO3S2/c5-3-1-2-9-4(3)10(6,7)8/h1-2H,(H,6,7,8)
InChIKeyBVGQALYOYQFPIX-UHFFFAOYSA-N
MW243.10 g/mol
LogP1.76
Rot. Bonds1

About 3-bromothiophene-2-sulfonic acid

3-bromothiophene-2-sulfonic acid (PubChem CID 22485768) has the molecular formula C4H3BrO3S2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 3-bromothiophene-2-sulfonic acid.

Molecular Properties

Compound Name3-bromothiophene-2-sulfonic acid
PubChem CID22485768
Molecular FormulaC4H3BrO3S2
Molecular Weight243.10 g/mol
Exact Mass241.87
IUPAC Name3-bromothiophene-2-sulfonic acid
SMILESO=S(=O)(O)c1sccc1Br
InChIInChI=1S/C4H3BrO3S2/c5-3-1-2-9-4(3)10(6,7)8/h1-2H,(H,6,7,8)
InChIKeyBVGQALYOYQFPIX-UHFFFAOYSA-N
XLogP1.76
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 3-bromothiophene-2-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Bromothiophene-2-sulfonyl chloride
CID 2733924
4,5-Dibromothiophene-2-sulfonyl chloride
CID 522755
3-Bromothiophene-2-sulfonyl chloride
CID 13675598
Thiophene-2-sulfonic acid
CID 165170
4-bromothiophene-3-sulfonyl Chloride
CID 2794638
3,5-Dibromothiophene-2-sulfonyl chloride
CID 12874987
2-Bromo-5-methanesulfonylthiophene
CID 17390281
4-Bromothiophene-2-sulfonamide
CID 17866854
3-Bromothiophene-2-sulfonamide
CID 19842653
4-Bromothiophene-2-sulfonyl chloride
CID 22485765
5-Bromothiophene-3-sulfonyl chloride
CID 130737016
5-Bromothiophene-2-sulfonyl fluoride
CID 82294545

Frequently Asked Questions

What is the IUPAC name of 3-bromothiophene-2-sulfonic acid?
The IUPAC name of 3-bromothiophene-2-sulfonic acid (CID 22485768) is 3-bromothiophene-2-sulfonic acid.
What is the SMILES notation for 3-bromothiophene-2-sulfonic acid?
The canonical SMILES for 3-bromothiophene-2-sulfonic acid is O=S(=O)(O)c1sccc1Br.
What is the InChIKey of 3-bromothiophene-2-sulfonic acid?
The InChIKey is BVGQALYOYQFPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrO3S2/c5-3-1-2-9-4(3)10(6,7)8/h1-2H,(H,6,7,8).
What are the key properties of 3-bromothiophene-2-sulfonic acid?
3-bromothiophene-2-sulfonic acid has a molecular weight of 243.10 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromothiophene-2-sulfonic acid is sourced from PubChem (CID 22485768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).