3,4-dibutyl-2,5-dimethylthiophene

C14H24S — CID 135050024

IUPAC3,4-dibutyl-2,5-dimethylthiophene
SMILESCCCCc1c(C)sc(C)c1CCCC
InChIInChI=1S/C14H24S/c1-5-7-9-13-11(3)15-12(4)14(13)10-8-6-2/h5-10H2,1-4H3
InChIKeyJUEHKKCLDSDJIY-UHFFFAOYSA-N
MW224.41 g/mol
LogP5.05
Rot. Bonds6

About 3,4-dibutyl-2,5-dimethylthiophene

3,4-dibutyl-2,5-dimethylthiophene (PubChem CID 135050024) has the molecular formula C14H24S and a molecular weight of 224.41 g/mol. Its IUPAC name is 3,4-dibutyl-2,5-dimethylthiophene.

Molecular Properties

Compound Name3,4-dibutyl-2,5-dimethylthiophene
PubChem CID135050024
Molecular FormulaC14H24S
Molecular Weight224.41 g/mol
Exact Mass224.16
IUPAC Name3,4-dibutyl-2,5-dimethylthiophene
SMILESCCCCc1c(C)sc(C)c1CCCC
InChIInChI=1S/C14H24S/c1-5-7-9-13-11(3)15-12(4)14(13)10-8-6-2/h5-10H2,1-4H3
InChIKeyJUEHKKCLDSDJIY-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.41
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dibutyl-2,5-dimethylthiophene?
The IUPAC name of 3,4-dibutyl-2,5-dimethylthiophene (CID 135050024) is 3,4-dibutyl-2,5-dimethylthiophene.
What is the SMILES notation for 3,4-dibutyl-2,5-dimethylthiophene?
The canonical SMILES for 3,4-dibutyl-2,5-dimethylthiophene is CCCCc1c(C)sc(C)c1CCCC.
What is the InChIKey of 3,4-dibutyl-2,5-dimethylthiophene?
The InChIKey is JUEHKKCLDSDJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24S/c1-5-7-9-13-11(3)15-12(4)14(13)10-8-6-2/h5-10H2,1-4H3.
What are the key properties of 3,4-dibutyl-2,5-dimethylthiophene?
3,4-dibutyl-2,5-dimethylthiophene has a molecular weight of 224.41 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibutyl-2,5-dimethylthiophene is sourced from PubChem (CID 135050024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).