5-(dithiophen-2-ylmethyl)thiophene-2-carbaldehyde

C14H10OS3 — CID 86078628

IUPAC5-(dithiophen-2-ylmethyl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(C(c2cccs2)c2cccs2)s1
InChIInChI=1S/C14H10OS3/c15-9-10-5-6-13(18-10)14(11-3-1-7-16-11)12-4-2-8-17-12/h1-9,14H
InChIKeyCDQMXFFCFMRYST-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.86
Rot. Bonds4

About 5-(dithiophen-2-ylmethyl)thiophene-2-carbaldehyde

5-(dithiophen-2-ylmethyl)thiophene-2-carbaldehyde (PubChem CID 86078628) has the molecular formula C14H10OS3 and a molecular weight of 290.43 g/mol. Its IUPAC name is 5-(dithiophen-2-ylmethyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(dithiophen-2-ylmethyl)thiophene-2-carbaldehyde
PubChem CID86078628
Molecular FormulaC14H10OS3
Molecular Weight290.43 g/mol
Exact Mass289.99
IUPAC Name5-(dithiophen-2-ylmethyl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(C(c2cccs2)c2cccs2)s1
InChIInChI=1S/C14H10OS3/c15-9-10-5-6-13(18-10)14(11-3-1-7-16-11)12-4-2-8-17-12/h1-9,14H
InChIKeyCDQMXFFCFMRYST-UHFFFAOYSA-N
XLogP4.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-thiophen-2-ylethenyl)thiophene-2-carbaldehyde
CID 71357746
thiophene-2-carbaldehyde;hydrobromide
CID 20535828
5-(5-thiophen-2-ylfuran-2-yl)thiophene-2-carbaldehyde
CID 817927
CID 18504239
CID 18504239
(3R)-2-methylidene-3-thiophen-2-ylbutanal
CID 125486336
[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]-thiophen-2-ylmethanol
CID 11197598
2-chloro-5-[chloro(thiophen-2-yl)methyl]thiophene
CID 61084392
N-[4-(5-formylthiophen-2-yl)-3,4-dihydroxybutyl]acetamide
CID 171882482
2-propan-2-ylthiophene
CID 178128598
2-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]-5-[(1E,3E)-4-[5-[(1E,3E)-4-thiophen-2-ylbuta-1,3-dienyl]thiophen-2-yl]buta-1,3-dienyl]thiophene
CID 10885407
2-[bis(5-thiophen-2-ylthiophen-2-yl)methyl]-5-bromothiophene
CID 11081700
5-(2,6-diethyl-4-thiophen-2-ylphenyl)thiophene-2-carbaldehyde
CID 141257761

Frequently Asked Questions

What is the IUPAC name of 5-(dithiophen-2-ylmethyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(dithiophen-2-ylmethyl)thiophene-2-carbaldehyde (CID 86078628) is 5-(dithiophen-2-ylmethyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(dithiophen-2-ylmethyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(dithiophen-2-ylmethyl)thiophene-2-carbaldehyde is O=Cc1ccc(C(c2cccs2)c2cccs2)s1.
What is the InChIKey of 5-(dithiophen-2-ylmethyl)thiophene-2-carbaldehyde?
The InChIKey is CDQMXFFCFMRYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10OS3/c15-9-10-5-6-13(18-10)14(11-3-1-7-16-11)12-4-2-8-17-12/h1-9,14H.
What are the key properties of 5-(dithiophen-2-ylmethyl)thiophene-2-carbaldehyde?
5-(dithiophen-2-ylmethyl)thiophene-2-carbaldehyde has a molecular weight of 290.43 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dithiophen-2-ylmethyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 86078628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).