3-methyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene-2-carbaldehyde

C13H14OS2 — CID 10562663

IUPAC3-methyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene-2-carbaldehyde
SMILESCc1cc(-c2sc(C)c(C)c2C)sc1C=O
InChIInChI=1S/C13H14OS2/c1-7-5-11(16-12(7)6-14)13-9(3)8(2)10(4)15-13/h5-6H,1-4H3
InChIKeyNYMKWIYNNLNPAL-UHFFFAOYSA-N
MW250.39 g/mol
LogP4.52
Rot. Bonds2

About 3-methyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene-2-carbaldehyde

3-methyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene-2-carbaldehyde (PubChem CID 10562663) has the molecular formula C13H14OS2 and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-methyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-methyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene-2-carbaldehyde
PubChem CID10562663
Molecular FormulaC13H14OS2
Molecular Weight250.39 g/mol
Exact Mass250.05
IUPAC Name3-methyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene-2-carbaldehyde
SMILESCc1cc(-c2sc(C)c(C)c2C)sc1C=O
InChIInChI=1S/C13H14OS2/c1-7-5-11(16-12(7)6-14)13-9(3)8(2)10(4)15-13/h5-6H,1-4H3
InChIKeyNYMKWIYNNLNPAL-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene-2-carbaldehyde?
The IUPAC name of 3-methyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene-2-carbaldehyde (CID 10562663) is 3-methyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 3-methyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 3-methyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene-2-carbaldehyde is Cc1cc(-c2sc(C)c(C)c2C)sc1C=O.
What is the InChIKey of 3-methyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene-2-carbaldehyde?
The InChIKey is NYMKWIYNNLNPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14OS2/c1-7-5-11(16-12(7)6-14)13-9(3)8(2)10(4)15-13/h5-6H,1-4H3.
What are the key properties of 3-methyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene-2-carbaldehyde?
3-methyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene-2-carbaldehyde has a molecular weight of 250.39 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3,4,5-trimethylthiophen-2-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 10562663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).