2,5-dibromothiophene-3-sulfinic acid

C4H2Br2O2S2 — CID 131021841

IUPAC2,5-dibromothiophene-3-sulfinic acid
SMILESO=S(O)c1cc(Br)sc1Br
InChIInChI=1S/C4H2Br2O2S2/c5-3-1-2(10(7)8)4(6)9-3/h1H,(H,7,8)
InChIKeyDQFVIGQQXHDZHP-UHFFFAOYSA-N
MW306.00 g/mol
LogP2.85
Rot. Bonds1

About 2,5-dibromothiophene-3-sulfinic acid

2,5-dibromothiophene-3-sulfinic acid (PubChem CID 131021841) has the molecular formula C4H2Br2O2S2 and a molecular weight of 306.00 g/mol. Its IUPAC name is 2,5-dibromothiophene-3-sulfinic acid.

Molecular Properties

Compound Name2,5-dibromothiophene-3-sulfinic acid
PubChem CID131021841
Molecular FormulaC4H2Br2O2S2
Molecular Weight306.00 g/mol
Exact Mass303.79
IUPAC Name2,5-dibromothiophene-3-sulfinic acid
SMILESO=S(O)c1cc(Br)sc1Br
InChIInChI=1S/C4H2Br2O2S2/c5-3-1-2(10(7)8)4(6)9-3/h1H,(H,7,8)
InChIKeyDQFVIGQQXHDZHP-UHFFFAOYSA-N
XLogP2.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.00
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibromothiophene-3-sulfinic acid?
The IUPAC name of 2,5-dibromothiophene-3-sulfinic acid (CID 131021841) is 2,5-dibromothiophene-3-sulfinic acid.
What is the SMILES notation for 2,5-dibromothiophene-3-sulfinic acid?
The canonical SMILES for 2,5-dibromothiophene-3-sulfinic acid is O=S(O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromothiophene-3-sulfinic acid?
The InChIKey is DQFVIGQQXHDZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Br2O2S2/c5-3-1-2(10(7)8)4(6)9-3/h1H,(H,7,8).
What are the key properties of 2,5-dibromothiophene-3-sulfinic acid?
2,5-dibromothiophene-3-sulfinic acid has a molecular weight of 306.00 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromothiophene-3-sulfinic acid is sourced from PubChem (CID 131021841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).