4-bromothiophene-2-carbaldehyde;methanol

C6H7BrO2S — CID 143080437

IUPAC4-bromothiophene-2-carbaldehyde;methanol
SMILESCO.O=Cc1cc(Br)cs1
InChIInChI=1S/C5H3BrOS.CH4O/c6-4-1-5(2-7)8-3-4;1-2/h1-3H;2H,1H3
InChIKeyNPIPHSCLUHJSPE-UHFFFAOYSA-N
MW223.09 g/mol
LogP1.93
Rot. Bonds1

About 4-bromothiophene-2-carbaldehyde;methanol

4-bromothiophene-2-carbaldehyde;methanol (PubChem CID 143080437) has the molecular formula C6H7BrO2S and a molecular weight of 223.09 g/mol. Its IUPAC name is 4-bromothiophene-2-carbaldehyde;methanol.

Molecular Properties

Compound Name4-bromothiophene-2-carbaldehyde;methanol
PubChem CID143080437
Molecular FormulaC6H7BrO2S
Molecular Weight223.09 g/mol
Exact Mass221.94
IUPAC Name4-bromothiophene-2-carbaldehyde;methanol
SMILESCO.O=Cc1cc(Br)cs1
InChIInChI=1S/C5H3BrOS.CH4O/c6-4-1-5(2-7)8-3-4;1-2/h1-3H;2H,1H3
InChIKeyNPIPHSCLUHJSPE-UHFFFAOYSA-N
XLogP1.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.09
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromothiophene-2-carbaldehyde;methanol?
The IUPAC name of 4-bromothiophene-2-carbaldehyde;methanol (CID 143080437) is 4-bromothiophene-2-carbaldehyde;methanol.
What is the SMILES notation for 4-bromothiophene-2-carbaldehyde;methanol?
The canonical SMILES for 4-bromothiophene-2-carbaldehyde;methanol is CO.O=Cc1cc(Br)cs1.
What is the InChIKey of 4-bromothiophene-2-carbaldehyde;methanol?
The InChIKey is NPIPHSCLUHJSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrOS.CH4O/c6-4-1-5(2-7)8-3-4;1-2/h1-3H;2H,1H3.
What are the key properties of 4-bromothiophene-2-carbaldehyde;methanol?
4-bromothiophene-2-carbaldehyde;methanol has a molecular weight of 223.09 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromothiophene-2-carbaldehyde;methanol is sourced from PubChem (CID 143080437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).