5-thiophen-3-ylthiophene-2-carbaldehyde

C9H6OS2 — CID 4674816

IUPAC5-thiophen-3-ylthiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccsc2)s1
InChIInChI=1S/C9H6OS2/c10-5-8-1-2-9(12-8)7-3-4-11-6-7/h1-6H
InChIKeyDLUYARULRKBGQN-UHFFFAOYSA-N
MW194.28 g/mol
LogP3.29
Rot. Bonds2

About 5-thiophen-3-ylthiophene-2-carbaldehyde

5-thiophen-3-ylthiophene-2-carbaldehyde (PubChem CID 4674816) has the molecular formula C9H6OS2 and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-thiophen-3-ylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-thiophen-3-ylthiophene-2-carbaldehyde
PubChem CID4674816
Molecular FormulaC9H6OS2
Molecular Weight194.28 g/mol
Exact Mass193.99
IUPAC Name5-thiophen-3-ylthiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccsc2)s1
InChIInChI=1S/C9H6OS2/c10-5-8-1-2-9(12-8)7-3-4-11-6-7/h1-6H
InChIKeyDLUYARULRKBGQN-UHFFFAOYSA-N
XLogP3.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(furan-3-yl)thiophene-2-carbaldehyde
CID 141362876
4-[(5-thiophen-3-ylthiophen-2-yl)methylideneamino]benzoic acid
CID 3380380
5-[2,4,5-tris(5-formylthiophen-2-yl)phenyl]thiophene-2-carbaldehyde
CID 170901047
5-(3,4,5-trifluorophenyl)thiophene-2-carbaldehyde
CID 62812029
5-(3-chloro-5-hydroxyphenyl)thiophene-2-carbaldehyde
CID 53221262
5-(4-bromo-3-methylphenyl)thiophene-2-carbaldehyde
CID 43363606
5-(3,4-difluorophenyl)thiophene-2-carbaldehyde
CID 43153943
5-[4-(hydroxymethyl)phenyl]thiophene-2-carbaldehyde
CID 23080398
2-ethynyl-5-thiophen-3-ylthiophene
CID 122241607
4-(5-formylthiophen-2-yl)benzamide
CID 87324146
3-(5-formylthiophen-2-yl)-5-hydroxybenzonitrile
CID 53219924
5-(3-fluoro-4-methylphenyl)thiophene-2-carbaldehyde
CID 43153934

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-3-ylthiophene-2-carbaldehyde?
The IUPAC name of 5-thiophen-3-ylthiophene-2-carbaldehyde (CID 4674816) is 5-thiophen-3-ylthiophene-2-carbaldehyde.
What is the SMILES notation for 5-thiophen-3-ylthiophene-2-carbaldehyde?
The canonical SMILES for 5-thiophen-3-ylthiophene-2-carbaldehyde is O=Cc1ccc(-c2ccsc2)s1.
What is the InChIKey of 5-thiophen-3-ylthiophene-2-carbaldehyde?
The InChIKey is DLUYARULRKBGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6OS2/c10-5-8-1-2-9(12-8)7-3-4-11-6-7/h1-6H.
What are the key properties of 5-thiophen-3-ylthiophene-2-carbaldehyde?
5-thiophen-3-ylthiophene-2-carbaldehyde has a molecular weight of 194.28 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-3-ylthiophene-2-carbaldehyde is sourced from PubChem (CID 4674816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).