2-bromothiophene-3-carbaldehyde;ethane

C7H9BrOS — CID 144931320

IUPAC2-bromothiophene-3-carbaldehyde;ethane
SMILESCC.O=Cc1ccsc1Br
InChIInChI=1S/C5H3BrOS.C2H6/c6-5-4(3-7)1-2-8-5;1-2/h1-3H;1-2H3
InChIKeyQDJWMTCCALYVSP-UHFFFAOYSA-N
MW221.12 g/mol
LogP3.35
Rot. Bonds1

About 2-bromothiophene-3-carbaldehyde;ethane

2-bromothiophene-3-carbaldehyde;ethane (PubChem CID 144931320) has the molecular formula C7H9BrOS and a molecular weight of 221.12 g/mol. Its IUPAC name is 2-bromothiophene-3-carbaldehyde;ethane.

Molecular Properties

Compound Name2-bromothiophene-3-carbaldehyde;ethane
PubChem CID144931320
Molecular FormulaC7H9BrOS
Molecular Weight221.12 g/mol
Exact Mass219.96
IUPAC Name2-bromothiophene-3-carbaldehyde;ethane
SMILESCC.O=Cc1ccsc1Br
InChIInChI=1S/C5H3BrOS.C2H6/c6-5-4(3-7)1-2-8-5;1-2/h1-3H;1-2H3
InChIKeyQDJWMTCCALYVSP-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.12
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromothiophene-3-carbaldehyde;ethane 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

2-(4-bromophenyl)thiophene-3-carbaldehyde
CID 118384804
2-ethoxythiophene-3-carbaldehyde
CID 86150855
2-acetylthiophene-3-carbaldehyde
CID 59760330
2-(3-methylthiophen-2-yl)thiophene-3-carbaldehyde
CID 139035215
2-(3-ethenylthiophen-2-yl)thiophene-3-carbaldehyde
CID 163903567
1,1-dimethoxyethane;thiophene-2,3-dicarbaldehyde
CID 88766542
4,7-dibromo-1-benzothiophene-5-carbaldehyde
CID 130914405
4-bromo-7-(bromomethyl)-1-benzothiophene-5-carbaldehyde
CID 130925488
2-(2-bromothiophen-3-yl)-1,3-oxazole-5-carbaldehyde
CID 164661632
2-bromo-3-(bromomethyl)thiophene
CID 2735537
4-bromothieno[2,3-c]thiophene-6-carbaldehyde
CID 175029996
2-tributylstannylthiophene-3-carbaldehyde
CID 10873091

Frequently Asked Questions

What is the IUPAC name of 2-bromothiophene-3-carbaldehyde;ethane?
The IUPAC name of 2-bromothiophene-3-carbaldehyde;ethane (CID 144931320) is 2-bromothiophene-3-carbaldehyde;ethane.
What is the SMILES notation for 2-bromothiophene-3-carbaldehyde;ethane?
The canonical SMILES for 2-bromothiophene-3-carbaldehyde;ethane is CC.O=Cc1ccsc1Br.
What is the InChIKey of 2-bromothiophene-3-carbaldehyde;ethane?
The InChIKey is QDJWMTCCALYVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrOS.C2H6/c6-5-4(3-7)1-2-8-5;1-2/h1-3H;1-2H3.
What are the key properties of 2-bromothiophene-3-carbaldehyde;ethane?
2-bromothiophene-3-carbaldehyde;ethane has a molecular weight of 221.12 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromothiophene-3-carbaldehyde;ethane is sourced from PubChem (CID 144931320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).