2,3,4-trithiophen-2-ylthiophene

C16H10S4 — CID 54229924

IUPAC2,3,4-trithiophen-2-ylthiophene
SMILESc1csc(-c2csc(-c3cccs3)c2-c2cccs2)c1
InChIInChI=1S/C16H10S4/c1-4-12(17-7-1)11-10-20-16(14-6-3-9-19-14)15(11)13-5-2-8-18-13/h1-10H
InChIKeyQINNFXVTHPWHIY-UHFFFAOYSA-N
MW330.52 g/mol
LogP6.93
Rot. Bonds3

About 2,3,4-trithiophen-2-ylthiophene

2,3,4-trithiophen-2-ylthiophene (PubChem CID 54229924) has the molecular formula C16H10S4 and a molecular weight of 330.52 g/mol. Its IUPAC name is 2,3,4-trithiophen-2-ylthiophene.

Molecular Properties

Compound Name2,3,4-trithiophen-2-ylthiophene
PubChem CID54229924
Molecular FormulaC16H10S4
Molecular Weight330.52 g/mol
Exact Mass329.97
IUPAC Name2,3,4-trithiophen-2-ylthiophene
SMILESc1csc(-c2csc(-c3cccs3)c2-c2cccs2)c1
InChIInChI=1S/C16H10S4/c1-4-12(17-7-1)11-10-20-16(14-6-3-9-19-14)15(11)13-5-2-8-18-13/h1-10H
InChIKeyQINNFXVTHPWHIY-UHFFFAOYSA-N
XLogP6.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.52
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trithiophen-2-ylthiophene?
The IUPAC name of 2,3,4-trithiophen-2-ylthiophene (CID 54229924) is 2,3,4-trithiophen-2-ylthiophene.
What is the SMILES notation for 2,3,4-trithiophen-2-ylthiophene?
The canonical SMILES for 2,3,4-trithiophen-2-ylthiophene is c1csc(-c2csc(-c3cccs3)c2-c2cccs2)c1.
What is the InChIKey of 2,3,4-trithiophen-2-ylthiophene?
The InChIKey is QINNFXVTHPWHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10S4/c1-4-12(17-7-1)11-10-20-16(14-6-3-9-19-14)15(11)13-5-2-8-18-13/h1-10H.
What are the key properties of 2,3,4-trithiophen-2-ylthiophene?
2,3,4-trithiophen-2-ylthiophene has a molecular weight of 330.52 g/mol, XLogP of 6.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trithiophen-2-ylthiophene is sourced from PubChem (CID 54229924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).