2-methoxy-5-(5-thiophen-2-ylthiophen-2-yl)thiophene

C13H10OS3 — CID 10401342

IUPAC2-methoxy-5-(5-thiophen-2-ylthiophen-2-yl)thiophene
SMILESCOc1ccc(-c2ccc(-c3cccs3)s2)s1
InChIInChI=1S/C13H10OS3/c1-14-13-7-6-12(17-13)11-5-4-10(16-11)9-3-2-8-15-9/h2-8H,1H3
InChIKeyKBYJKTZWPSXMFJ-UHFFFAOYSA-N
MW278.42 g/mol
LogP5.21
Rot. Bonds3

About 2-methoxy-5-(5-thiophen-2-ylthiophen-2-yl)thiophene

2-methoxy-5-(5-thiophen-2-ylthiophen-2-yl)thiophene (PubChem CID 10401342) has the molecular formula C13H10OS3 and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-methoxy-5-(5-thiophen-2-ylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name2-methoxy-5-(5-thiophen-2-ylthiophen-2-yl)thiophene
PubChem CID10401342
Molecular FormulaC13H10OS3
Molecular Weight278.42 g/mol
Exact Mass277.99
IUPAC Name2-methoxy-5-(5-thiophen-2-ylthiophen-2-yl)thiophene
SMILESCOc1ccc(-c2ccc(-c3cccs3)s2)s1
InChIInChI=1S/C13H10OS3/c1-14-13-7-6-12(17-13)11-5-4-10(16-11)9-3-2-8-15-9/h2-8H,1H3
InChIKeyKBYJKTZWPSXMFJ-UHFFFAOYSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.42
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(5-thiophen-2-ylthiophen-2-yl)thiophene?
The IUPAC name of 2-methoxy-5-(5-thiophen-2-ylthiophen-2-yl)thiophene (CID 10401342) is 2-methoxy-5-(5-thiophen-2-ylthiophen-2-yl)thiophene.
What is the SMILES notation for 2-methoxy-5-(5-thiophen-2-ylthiophen-2-yl)thiophene?
The canonical SMILES for 2-methoxy-5-(5-thiophen-2-ylthiophen-2-yl)thiophene is COc1ccc(-c2ccc(-c3cccs3)s2)s1.
What is the InChIKey of 2-methoxy-5-(5-thiophen-2-ylthiophen-2-yl)thiophene?
The InChIKey is KBYJKTZWPSXMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10OS3/c1-14-13-7-6-12(17-13)11-5-4-10(16-11)9-3-2-8-15-9/h2-8H,1H3.
What are the key properties of 2-methoxy-5-(5-thiophen-2-ylthiophen-2-yl)thiophene?
2-methoxy-5-(5-thiophen-2-ylthiophen-2-yl)thiophene has a molecular weight of 278.42 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(5-thiophen-2-ylthiophen-2-yl)thiophene is sourced from PubChem (CID 10401342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).