2-butyl-4-(4-thiophen-3-ylthiophen-3-yl)thiophene

C16H16S3 — CID 135043788

IUPAC2-butyl-4-(4-thiophen-3-ylthiophen-3-yl)thiophene
SMILESCCCCc1cc(-c2cscc2-c2ccsc2)cs1
InChIInChI=1S/C16H16S3/c1-2-3-4-14-7-13(9-19-14)16-11-18-10-15(16)12-5-6-17-8-12/h5-11H,2-4H2,1H3
InChIKeySWVOSUSRTSDQBI-UHFFFAOYSA-N
MW304.50 g/mol
LogP6.55
Rot. Bonds5

About 2-butyl-4-(4-thiophen-3-ylthiophen-3-yl)thiophene

2-butyl-4-(4-thiophen-3-ylthiophen-3-yl)thiophene (PubChem CID 135043788) has the molecular formula C16H16S3 and a molecular weight of 304.50 g/mol. Its IUPAC name is 2-butyl-4-(4-thiophen-3-ylthiophen-3-yl)thiophene.

Molecular Properties

Compound Name2-butyl-4-(4-thiophen-3-ylthiophen-3-yl)thiophene
PubChem CID135043788
Molecular FormulaC16H16S3
Molecular Weight304.50 g/mol
Exact Mass304.04
IUPAC Name2-butyl-4-(4-thiophen-3-ylthiophen-3-yl)thiophene
SMILESCCCCc1cc(-c2cscc2-c2ccsc2)cs1
InChIInChI=1S/C16H16S3/c1-2-3-4-14-7-13(9-19-14)16-11-18-10-15(16)12-5-6-17-8-12/h5-11H,2-4H2,1H3
InChIKeySWVOSUSRTSDQBI-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.50
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-(4-thiophen-3-ylthiophen-3-yl)thiophene?
The IUPAC name of 2-butyl-4-(4-thiophen-3-ylthiophen-3-yl)thiophene (CID 135043788) is 2-butyl-4-(4-thiophen-3-ylthiophen-3-yl)thiophene.
What is the SMILES notation for 2-butyl-4-(4-thiophen-3-ylthiophen-3-yl)thiophene?
The canonical SMILES for 2-butyl-4-(4-thiophen-3-ylthiophen-3-yl)thiophene is CCCCc1cc(-c2cscc2-c2ccsc2)cs1.
What is the InChIKey of 2-butyl-4-(4-thiophen-3-ylthiophen-3-yl)thiophene?
The InChIKey is SWVOSUSRTSDQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16S3/c1-2-3-4-14-7-13(9-19-14)16-11-18-10-15(16)12-5-6-17-8-12/h5-11H,2-4H2,1H3.
What are the key properties of 2-butyl-4-(4-thiophen-3-ylthiophen-3-yl)thiophene?
2-butyl-4-(4-thiophen-3-ylthiophen-3-yl)thiophene has a molecular weight of 304.50 g/mol, XLogP of 6.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-(4-thiophen-3-ylthiophen-3-yl)thiophene is sourced from PubChem (CID 135043788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).