thiophene-2-carbaldehyde;hydrobromide

C5H5BrOS — CID 20535828

IUPACthiophene-2-carbaldehyde;hydrobromide
SMILESBr.O=Cc1cccs1
InChIInChI=1S/C5H4OS.BrH/c6-4-5-2-1-3-7-5;/h1-4H;1H
InChIKeyUIQLMKKPUIFXJE-UHFFFAOYSA-N
MW193.06 g/mol
LogP2.14
Rot. Bonds1

About thiophene-2-carbaldehyde;hydrobromide

thiophene-2-carbaldehyde;hydrobromide (PubChem CID 20535828) has the molecular formula C5H5BrOS and a molecular weight of 193.06 g/mol. Its IUPAC name is thiophene-2-carbaldehyde;hydrobromide.

Molecular Properties

Compound Namethiophene-2-carbaldehyde;hydrobromide
PubChem CID20535828
Molecular FormulaC5H5BrOS
Molecular Weight193.06 g/mol
Exact Mass191.92
IUPAC Namethiophene-2-carbaldehyde;hydrobromide
SMILESBr.O=Cc1cccs1
InChIInChI=1S/C5H4OS.BrH/c6-4-5-2-1-3-7-5;/h1-4H;1H
InChIKeyUIQLMKKPUIFXJE-UHFFFAOYSA-N
XLogP2.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.06
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-[2-(2-thiophen-2-ylethenylsulfonyl)ethenyl]thiophene
CID 141485128
5-(dithiophen-2-ylmethyl)thiophene-2-carbaldehyde
CID 86078628
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Frequently Asked Questions

What is the IUPAC name of thiophene-2-carbaldehyde;hydrobromide?
The IUPAC name of thiophene-2-carbaldehyde;hydrobromide (CID 20535828) is thiophene-2-carbaldehyde;hydrobromide.
What is the SMILES notation for thiophene-2-carbaldehyde;hydrobromide?
The canonical SMILES for thiophene-2-carbaldehyde;hydrobromide is Br.O=Cc1cccs1.
What is the InChIKey of thiophene-2-carbaldehyde;hydrobromide?
The InChIKey is UIQLMKKPUIFXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4OS.BrH/c6-4-5-2-1-3-7-5;/h1-4H;1H.
What are the key properties of thiophene-2-carbaldehyde;hydrobromide?
thiophene-2-carbaldehyde;hydrobromide has a molecular weight of 193.06 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene-2-carbaldehyde;hydrobromide is sourced from PubChem (CID 20535828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).