5-[2-(5-formylthiophen-2-yl)butan-2-yl]thiophene-2-carbaldehyde

C14H14O2S2 — CID 619307

IUPAC5-[2-(5-formylthiophen-2-yl)butan-2-yl]thiophene-2-carbaldehyde
SMILESCCC(C)(c1ccc(C=O)s1)c1ccc(C=O)s1
InChIInChI=1S/C14H14O2S2/c1-3-14(2,12-6-4-10(8-15)17-12)13-7-5-11(9-16)18-13/h4-9H,3H2,1-2H3
InChIKeyDXRFGNFPIUXEDL-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.15
Rot. Bonds5

About 5-[2-(5-formylthiophen-2-yl)butan-2-yl]thiophene-2-carbaldehyde

5-[2-(5-formylthiophen-2-yl)butan-2-yl]thiophene-2-carbaldehyde (PubChem CID 619307) has the molecular formula C14H14O2S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-[2-(5-formylthiophen-2-yl)butan-2-yl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[2-(5-formylthiophen-2-yl)butan-2-yl]thiophene-2-carbaldehyde
PubChem CID619307
Molecular FormulaC14H14O2S2
Molecular Weight278.40 g/mol
Exact Mass278.04
IUPAC Name5-[2-(5-formylthiophen-2-yl)butan-2-yl]thiophene-2-carbaldehyde
SMILESCCC(C)(c1ccc(C=O)s1)c1ccc(C=O)s1
InChIInChI=1S/C14H14O2S2/c1-3-14(2,12-6-4-10(8-15)17-12)13-7-5-11(9-16)18-13/h4-9H,3H2,1-2H3
InChIKeyDXRFGNFPIUXEDL-UHFFFAOYSA-N
XLogP4.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.15
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-[2-(5-formylthiophen-2-yl)butan-2-yl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[2-(5-formylthiophen-2-yl)butan-2-yl]thiophene-2-carbaldehyde (CID 619307) is 5-[2-(5-formylthiophen-2-yl)butan-2-yl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[2-(5-formylthiophen-2-yl)butan-2-yl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[2-(5-formylthiophen-2-yl)butan-2-yl]thiophene-2-carbaldehyde is CCC(C)(c1ccc(C=O)s1)c1ccc(C=O)s1.
What is the InChIKey of 5-[2-(5-formylthiophen-2-yl)butan-2-yl]thiophene-2-carbaldehyde?
The InChIKey is DXRFGNFPIUXEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S2/c1-3-14(2,12-6-4-10(8-15)17-12)13-7-5-11(9-16)18-13/h4-9H,3H2,1-2H3.
What are the key properties of 5-[2-(5-formylthiophen-2-yl)butan-2-yl]thiophene-2-carbaldehyde?
5-[2-(5-formylthiophen-2-yl)butan-2-yl]thiophene-2-carbaldehyde has a molecular weight of 278.40 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-formylthiophen-2-yl)butan-2-yl]thiophene-2-carbaldehyde is sourced from PubChem (CID 619307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).