5-thiophen-3-ylsulfanylthiophene-2,4-dicarbaldehyde

C10H6O2S3 — CID 927627

IUPAC5-thiophen-3-ylsulfanylthiophene-2,4-dicarbaldehyde
SMILESO=Cc1cc(C=O)c(Sc2ccsc2)s1
InChIInChI=1S/C10H6O2S3/c11-4-7-3-9(5-12)15-10(7)14-8-1-2-13-6-8/h1-6H
InChIKeyCMCSYOYIGRWXDE-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.59
Rot. Bonds4

About 5-thiophen-3-ylsulfanylthiophene-2,4-dicarbaldehyde

5-thiophen-3-ylsulfanylthiophene-2,4-dicarbaldehyde (PubChem CID 927627) has the molecular formula C10H6O2S3 and a molecular weight of 254.36 g/mol. Its IUPAC name is 5-thiophen-3-ylsulfanylthiophene-2,4-dicarbaldehyde.

Molecular Properties

Compound Name5-thiophen-3-ylsulfanylthiophene-2,4-dicarbaldehyde
PubChem CID927627
Molecular FormulaC10H6O2S3
Molecular Weight254.36 g/mol
Exact Mass253.95
IUPAC Name5-thiophen-3-ylsulfanylthiophene-2,4-dicarbaldehyde
SMILESO=Cc1cc(C=O)c(Sc2ccsc2)s1
InChIInChI=1S/C10H6O2S3/c11-4-7-3-9(5-12)15-10(7)14-8-1-2-13-6-8/h1-6H
InChIKeyCMCSYOYIGRWXDE-UHFFFAOYSA-N
XLogP3.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-thiophen-3-ylsulfanylthiophene-2,4-dicarbaldehyde?
The IUPAC name of 5-thiophen-3-ylsulfanylthiophene-2,4-dicarbaldehyde (CID 927627) is 5-thiophen-3-ylsulfanylthiophene-2,4-dicarbaldehyde.
What is the SMILES notation for 5-thiophen-3-ylsulfanylthiophene-2,4-dicarbaldehyde?
The canonical SMILES for 5-thiophen-3-ylsulfanylthiophene-2,4-dicarbaldehyde is O=Cc1cc(C=O)c(Sc2ccsc2)s1.
What is the InChIKey of 5-thiophen-3-ylsulfanylthiophene-2,4-dicarbaldehyde?
The InChIKey is CMCSYOYIGRWXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O2S3/c11-4-7-3-9(5-12)15-10(7)14-8-1-2-13-6-8/h1-6H.
What are the key properties of 5-thiophen-3-ylsulfanylthiophene-2,4-dicarbaldehyde?
5-thiophen-3-ylsulfanylthiophene-2,4-dicarbaldehyde has a molecular weight of 254.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-3-ylsulfanylthiophene-2,4-dicarbaldehyde is sourced from PubChem (CID 927627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).