3-(2-formylthiophen-3-yl)thiophene-2-carbaldehyde

C10H6O2S2 — CID 818840

IUPAC3-(2-formylthiophen-3-yl)thiophene-2-carbaldehyde
SMILESO=Cc1sccc1-c1ccsc1C=O
InChIInChI=1S/C10H6O2S2/c11-5-9-7(1-3-13-9)8-2-4-14-10(8)6-12/h1-6H
InChIKeyUYWAPXIXMROYBD-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.10
Rot. Bonds3

About 3-(2-formylthiophen-3-yl)thiophene-2-carbaldehyde

3-(2-formylthiophen-3-yl)thiophene-2-carbaldehyde (PubChem CID 818840) has the molecular formula C10H6O2S2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(2-formylthiophen-3-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-(2-formylthiophen-3-yl)thiophene-2-carbaldehyde
PubChem CID818840
Molecular FormulaC10H6O2S2
Molecular Weight222.29 g/mol
Exact Mass221.98
IUPAC Name3-(2-formylthiophen-3-yl)thiophene-2-carbaldehyde
SMILESO=Cc1sccc1-c1ccsc1C=O
InChIInChI=1S/C10H6O2S2/c11-5-9-7(1-3-13-9)8-2-4-14-10(8)6-12/h1-6H
InChIKeyUYWAPXIXMROYBD-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 3-(2-formylthiophen-3-yl)thiophene-2-carbaldehyde?
The IUPAC name of 3-(2-formylthiophen-3-yl)thiophene-2-carbaldehyde (CID 818840) is 3-(2-formylthiophen-3-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 3-(2-formylthiophen-3-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 3-(2-formylthiophen-3-yl)thiophene-2-carbaldehyde is O=Cc1sccc1-c1ccsc1C=O.
What is the InChIKey of 3-(2-formylthiophen-3-yl)thiophene-2-carbaldehyde?
The InChIKey is UYWAPXIXMROYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O2S2/c11-5-9-7(1-3-13-9)8-2-4-14-10(8)6-12/h1-6H.
What are the key properties of 3-(2-formylthiophen-3-yl)thiophene-2-carbaldehyde?
3-(2-formylthiophen-3-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 3-(2-formylthiophen-3-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 818840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).