5-(5-bromothiophen-2-yl)thiophene-2-carbaldehyde

C9H5BrOS2 — CID 11065610

IUPAC5-(5-bromothiophen-2-yl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(Br)s2)s1
InChIInChI=1S/C9H5BrOS2/c10-9-4-3-8(13-9)7-2-1-6(5-11)12-7/h1-5H
InChIKeyNTHMTYNJFSUBMF-UHFFFAOYSA-N
MW273.18 g/mol
LogP4.05
Rot. Bonds2

About 5-(5-bromothiophen-2-yl)thiophene-2-carbaldehyde

5-(5-bromothiophen-2-yl)thiophene-2-carbaldehyde (PubChem CID 11065610) has the molecular formula C9H5BrOS2 and a molecular weight of 273.18 g/mol. Its IUPAC name is 5-(5-bromothiophen-2-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(5-bromothiophen-2-yl)thiophene-2-carbaldehyde
PubChem CID11065610
Molecular FormulaC9H5BrOS2
Molecular Weight273.18 g/mol
Exact Mass271.90
IUPAC Name5-(5-bromothiophen-2-yl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(Br)s2)s1
InChIInChI=1S/C9H5BrOS2/c10-9-4-3-8(13-9)7-2-1-6(5-11)12-7/h1-5H
InChIKeyNTHMTYNJFSUBMF-UHFFFAOYSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,2':5',2''-Terthiophene)-5-carboxaldehyde
CID 454742
[2,2'-Bithiophene]-5-carboxaldehyde
CID 364428
Arctinal
CID 13779265
(2,2':5',2''-Terthiophene)-5,5''-dicarboxaldehyde
CID 4389805
5-Bromothiophene-2-carbaldehyde
CID 78428
2,2'-Bithiophene-5,5'-dicarboxaldehyde
CID 2063643
5-(5-Methylthiophen-2-yl)thiophene-2-carbaldehyde
CID 4987278
1,2-Bis(5-bromothiophen-2-yl)ethane-1,2-dione
CID 11280423
Thieno(3,2-b)thiophene-2,5-dicarboxaldehyde
CID 361865
1,2-Bis(4-bromothiophen-2-yl)ethane-1,2-dione
CID 11245953
5-(4-Bromophenyl)thiophene-2-carbaldehyde
CID 3578056
4-Bromo-5-methylthiophene-2-carbaldehyde
CID 15538212

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromothiophen-2-yl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(5-bromothiophen-2-yl)thiophene-2-carbaldehyde (CID 11065610) is 5-(5-bromothiophen-2-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(5-bromothiophen-2-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(5-bromothiophen-2-yl)thiophene-2-carbaldehyde is O=Cc1ccc(-c2ccc(Br)s2)s1.
What is the InChIKey of 5-(5-bromothiophen-2-yl)thiophene-2-carbaldehyde?
The InChIKey is NTHMTYNJFSUBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrOS2/c10-9-4-3-8(13-9)7-2-1-6(5-11)12-7/h1-5H.
What are the key properties of 5-(5-bromothiophen-2-yl)thiophene-2-carbaldehyde?
5-(5-bromothiophen-2-yl)thiophene-2-carbaldehyde has a molecular weight of 273.18 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromothiophen-2-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 11065610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).