3,4-dibutyl-2-(3,4-dibutylthiophen-2-yl)thiophene

C24H38S2 — CID 11246290

IUPAC3,4-dibutyl-2-(3,4-dibutylthiophen-2-yl)thiophene
SMILESCCCCc1csc(-c2scc(CCCC)c2CCCC)c1CCCC
InChIInChI=1S/C24H38S2/c1-5-9-13-19-17-25-23(21(19)15-11-7-3)24-22(16-12-8-4)20(18-26-24)14-10-6-2/h17-18H,5-16H2,1-4H3
InChIKeyNQLSJTSSKLOQOF-UHFFFAOYSA-N
MW390.70 g/mol
LogP8.85
Rot. Bonds13

About 3,4-dibutyl-2-(3,4-dibutylthiophen-2-yl)thiophene

3,4-dibutyl-2-(3,4-dibutylthiophen-2-yl)thiophene (PubChem CID 11246290) has the molecular formula C24H38S2 and a molecular weight of 390.70 g/mol. Its IUPAC name is 3,4-dibutyl-2-(3,4-dibutylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name3,4-dibutyl-2-(3,4-dibutylthiophen-2-yl)thiophene
PubChem CID11246290
Molecular FormulaC24H38S2
Molecular Weight390.70 g/mol
Exact Mass390.24
IUPAC Name3,4-dibutyl-2-(3,4-dibutylthiophen-2-yl)thiophene
SMILESCCCCc1csc(-c2scc(CCCC)c2CCCC)c1CCCC
InChIInChI=1S/C24H38S2/c1-5-9-13-19-17-25-23(21(19)15-11-7-3)24-22(16-12-8-4)20(18-26-24)14-10-6-2/h17-18H,5-16H2,1-4H3
InChIKeyNQLSJTSSKLOQOF-UHFFFAOYSA-N
XLogP8.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.70
LogP ≤ 58.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dibutyl-2-(3,4-dibutylthiophen-2-yl)thiophene?
The IUPAC name of 3,4-dibutyl-2-(3,4-dibutylthiophen-2-yl)thiophene (CID 11246290) is 3,4-dibutyl-2-(3,4-dibutylthiophen-2-yl)thiophene.
What is the SMILES notation for 3,4-dibutyl-2-(3,4-dibutylthiophen-2-yl)thiophene?
The canonical SMILES for 3,4-dibutyl-2-(3,4-dibutylthiophen-2-yl)thiophene is CCCCc1csc(-c2scc(CCCC)c2CCCC)c1CCCC.
What is the InChIKey of 3,4-dibutyl-2-(3,4-dibutylthiophen-2-yl)thiophene?
The InChIKey is NQLSJTSSKLOQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38S2/c1-5-9-13-19-17-25-23(21(19)15-11-7-3)24-22(16-12-8-4)20(18-26-24)14-10-6-2/h17-18H,5-16H2,1-4H3.
What are the key properties of 3,4-dibutyl-2-(3,4-dibutylthiophen-2-yl)thiophene?
3,4-dibutyl-2-(3,4-dibutylthiophen-2-yl)thiophene has a molecular weight of 390.70 g/mol, XLogP of 8.85, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibutyl-2-(3,4-dibutylthiophen-2-yl)thiophene is sourced from PubChem (CID 11246290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).