5-[5-(5-propylthiophen-2-yl)thiophen-2-yl]thiophene-2-carbaldehyde

C16H14OS3 — CID 90980676

IUPAC5-[5-(5-propylthiophen-2-yl)thiophen-2-yl]thiophene-2-carbaldehyde
SMILESCCCc1ccc(-c2ccc(-c3ccc(C=O)s3)s2)s1
InChIInChI=1S/C16H14OS3/c1-2-3-11-4-6-13(18-11)15-8-9-16(20-15)14-7-5-12(10-17)19-14/h4-10H,2-3H2,1H3
InChIKeyCRVSALDHTMBEGR-UHFFFAOYSA-N
MW318.49 g/mol
LogP5.97
Rot. Bonds5

About 5-[5-(5-propylthiophen-2-yl)thiophen-2-yl]thiophene-2-carbaldehyde

5-[5-(5-propylthiophen-2-yl)thiophen-2-yl]thiophene-2-carbaldehyde (PubChem CID 90980676) has the molecular formula C16H14OS3 and a molecular weight of 318.49 g/mol. Its IUPAC name is 5-[5-(5-propylthiophen-2-yl)thiophen-2-yl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[5-(5-propylthiophen-2-yl)thiophen-2-yl]thiophene-2-carbaldehyde
PubChem CID90980676
Molecular FormulaC16H14OS3
Molecular Weight318.49 g/mol
Exact Mass318.02
IUPAC Name5-[5-(5-propylthiophen-2-yl)thiophen-2-yl]thiophene-2-carbaldehyde
SMILESCCCc1ccc(-c2ccc(-c3ccc(C=O)s3)s2)s1
InChIInChI=1S/C16H14OS3/c1-2-3-11-4-6-13(18-11)15-8-9-16(20-15)14-7-5-12(10-17)19-14/h4-10H,2-3H2,1H3
InChIKeyCRVSALDHTMBEGR-UHFFFAOYSA-N
XLogP5.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.49
LogP ≤ 55.97
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-(5-propylthiophen-2-yl)thiophen-2-yl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[5-(5-propylthiophen-2-yl)thiophen-2-yl]thiophene-2-carbaldehyde (CID 90980676) is 5-[5-(5-propylthiophen-2-yl)thiophen-2-yl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[5-(5-propylthiophen-2-yl)thiophen-2-yl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[5-(5-propylthiophen-2-yl)thiophen-2-yl]thiophene-2-carbaldehyde is CCCc1ccc(-c2ccc(-c3ccc(C=O)s3)s2)s1.
What is the InChIKey of 5-[5-(5-propylthiophen-2-yl)thiophen-2-yl]thiophene-2-carbaldehyde?
The InChIKey is CRVSALDHTMBEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14OS3/c1-2-3-11-4-6-13(18-11)15-8-9-16(20-15)14-7-5-12(10-17)19-14/h4-10H,2-3H2,1H3.
What are the key properties of 5-[5-(5-propylthiophen-2-yl)thiophen-2-yl]thiophene-2-carbaldehyde?
5-[5-(5-propylthiophen-2-yl)thiophen-2-yl]thiophene-2-carbaldehyde has a molecular weight of 318.49 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(5-propylthiophen-2-yl)thiophen-2-yl]thiophene-2-carbaldehyde is sourced from PubChem (CID 90980676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).