3,4-dibutylthiophene

C12H20S — CID 11298534

IUPAC3,4-dibutylthiophene
SMILESCCCCc1cscc1CCCC
InChIInChI=1S/C12H20S/c1-3-5-7-11-9-13-10-12(11)8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyFKXCQUBXKMXXBG-UHFFFAOYSA-N
MW196.36 g/mol
LogP4.43
Rot. Bonds6

About 3,4-dibutylthiophene

3,4-dibutylthiophene (PubChem CID 11298534) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is 3,4-dibutylthiophene.

Molecular Properties

Compound Name3,4-dibutylthiophene
PubChem CID11298534
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Name3,4-dibutylthiophene
SMILESCCCCc1cscc1CCCC
InChIInChI=1S/C12H20S/c1-3-5-7-11-9-13-10-12(11)8-6-4-2/h9-10H,3-8H2,1-2H3
InChIKeyFKXCQUBXKMXXBG-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dibutylthiophene?
The IUPAC name of 3,4-dibutylthiophene (CID 11298534) is 3,4-dibutylthiophene.
What is the SMILES notation for 3,4-dibutylthiophene?
The canonical SMILES for 3,4-dibutylthiophene is CCCCc1cscc1CCCC.
What is the InChIKey of 3,4-dibutylthiophene?
The InChIKey is FKXCQUBXKMXXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20S/c1-3-5-7-11-9-13-10-12(11)8-6-4-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 3,4-dibutylthiophene?
3,4-dibutylthiophene has a molecular weight of 196.36 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibutylthiophene is sourced from PubChem (CID 11298534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).