2,5-bis(5-ethylthiophen-2-yl)thiophene

C16H16S3 — CID 100960943

IUPAC2,5-bis(5-ethylthiophen-2-yl)thiophene
SMILESCCc1ccc(-c2ccc(-c3ccc(CC)s3)s2)s1
InChIInChI=1S/C16H16S3/c1-3-11-5-7-13(17-11)15-9-10-16(19-15)14-8-6-12(4-2)18-14/h5-10H,3-4H2,1-2H3
InChIKeyAHUVQWWCELFEAL-UHFFFAOYSA-N
MW304.50 g/mol
LogP6.33
Rot. Bonds4

About 2,5-bis(5-ethylthiophen-2-yl)thiophene

2,5-bis(5-ethylthiophen-2-yl)thiophene (PubChem CID 100960943) has the molecular formula C16H16S3 and a molecular weight of 304.50 g/mol. Its IUPAC name is 2,5-bis(5-ethylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name2,5-bis(5-ethylthiophen-2-yl)thiophene
PubChem CID100960943
Molecular FormulaC16H16S3
Molecular Weight304.50 g/mol
Exact Mass304.04
IUPAC Name2,5-bis(5-ethylthiophen-2-yl)thiophene
SMILESCCc1ccc(-c2ccc(-c3ccc(CC)s3)s2)s1
InChIInChI=1S/C16H16S3/c1-3-11-5-7-13(17-11)15-9-10-16(19-15)14-8-6-12(4-2)18-14/h5-10H,3-4H2,1-2H3
InChIKeyAHUVQWWCELFEAL-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.50
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(5-ethylthiophen-2-yl)thiophene?
The IUPAC name of 2,5-bis(5-ethylthiophen-2-yl)thiophene (CID 100960943) is 2,5-bis(5-ethylthiophen-2-yl)thiophene.
What is the SMILES notation for 2,5-bis(5-ethylthiophen-2-yl)thiophene?
The canonical SMILES for 2,5-bis(5-ethylthiophen-2-yl)thiophene is CCc1ccc(-c2ccc(-c3ccc(CC)s3)s2)s1.
What is the InChIKey of 2,5-bis(5-ethylthiophen-2-yl)thiophene?
The InChIKey is AHUVQWWCELFEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16S3/c1-3-11-5-7-13(17-11)15-9-10-16(19-15)14-8-6-12(4-2)18-14/h5-10H,3-4H2,1-2H3.
What are the key properties of 2,5-bis(5-ethylthiophen-2-yl)thiophene?
2,5-bis(5-ethylthiophen-2-yl)thiophene has a molecular weight of 304.50 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(5-ethylthiophen-2-yl)thiophene is sourced from PubChem (CID 100960943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).