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

C10H6O2S2 — CID 2063643

IUPAC5-(5-formylthiophen-2-yl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(C=O)s2)s1
InChIInChI=1S/C10H6O2S2/c11-5-7-1-3-9(13-7)10-4-2-8(6-12)14-10/h1-6H
InChIKeyRXAXZMANGDHIJX-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.10
Rot. Bonds3

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

5-(5-formylthiophen-2-yl)thiophene-2-carbaldehyde (PubChem CID 2063643) has the molecular formula C10H6O2S2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-(5-formylthiophen-2-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(5-formylthiophen-2-yl)thiophene-2-carbaldehyde
PubChem CID2063643
Molecular FormulaC10H6O2S2
Molecular Weight222.29 g/mol
Exact Mass221.98
IUPAC Name5-(5-formylthiophen-2-yl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(C=O)s2)s1
InChIInChI=1S/C10H6O2S2/c11-5-7-1-3-9(13-7)10-4-2-8(6-12)14-10/h1-6H
InChIKeyRXAXZMANGDHIJX-UHFFFAOYSA-N
XLogP3.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-formylthiophen-2-yl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(5-formylthiophen-2-yl)thiophene-2-carbaldehyde (CID 2063643) is 5-(5-formylthiophen-2-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(5-formylthiophen-2-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(5-formylthiophen-2-yl)thiophene-2-carbaldehyde is O=Cc1ccc(-c2ccc(C=O)s2)s1.
What is the InChIKey of 5-(5-formylthiophen-2-yl)thiophene-2-carbaldehyde?
The InChIKey is RXAXZMANGDHIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O2S2/c11-5-7-1-3-9(13-7)10-4-2-8(6-12)14-10/h1-6H.
What are the key properties of 5-(5-formylthiophen-2-yl)thiophene-2-carbaldehyde?
5-(5-formylthiophen-2-yl)thiophene-2-carbaldehyde has a molecular weight of 222.29 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-formylthiophen-2-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 2063643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).