2,5-dithiophen-2-yl-3-(thiophen-2-ylmethyl)thiophene

C17H12S4 — CID 10246932

IUPAC2,5-dithiophen-2-yl-3-(thiophen-2-ylmethyl)thiophene
SMILESc1csc(Cc2cc(-c3cccs3)sc2-c2cccs2)c1
InChIInChI=1S/C17H12S4/c1-4-13(18-7-1)10-12-11-16(14-5-2-8-19-14)21-17(12)15-6-3-9-20-15/h1-9,11H,10H2
InChIKeySSZOYMPDIKGIBP-UHFFFAOYSA-N
MW344.55 g/mol
LogP6.86
Rot. Bonds4

About 2,5-dithiophen-2-yl-3-(thiophen-2-ylmethyl)thiophene

2,5-dithiophen-2-yl-3-(thiophen-2-ylmethyl)thiophene (PubChem CID 10246932) has the molecular formula C17H12S4 and a molecular weight of 344.55 g/mol. Its IUPAC name is 2,5-dithiophen-2-yl-3-(thiophen-2-ylmethyl)thiophene.

Molecular Properties

Compound Name2,5-dithiophen-2-yl-3-(thiophen-2-ylmethyl)thiophene
PubChem CID10246932
Molecular FormulaC17H12S4
Molecular Weight344.55 g/mol
Exact Mass343.98
IUPAC Name2,5-dithiophen-2-yl-3-(thiophen-2-ylmethyl)thiophene
SMILESc1csc(Cc2cc(-c3cccs3)sc2-c2cccs2)c1
InChIInChI=1S/C17H12S4/c1-4-13(18-7-1)10-12-11-16(14-5-2-8-19-14)21-17(12)15-6-3-9-20-15/h1-9,11H,10H2
InChIKeySSZOYMPDIKGIBP-UHFFFAOYSA-N
XLogP6.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.55
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dithiophen-2-yl-3-(thiophen-2-ylmethyl)thiophene?
The IUPAC name of 2,5-dithiophen-2-yl-3-(thiophen-2-ylmethyl)thiophene (CID 10246932) is 2,5-dithiophen-2-yl-3-(thiophen-2-ylmethyl)thiophene.
What is the SMILES notation for 2,5-dithiophen-2-yl-3-(thiophen-2-ylmethyl)thiophene?
The canonical SMILES for 2,5-dithiophen-2-yl-3-(thiophen-2-ylmethyl)thiophene is c1csc(Cc2cc(-c3cccs3)sc2-c2cccs2)c1.
What is the InChIKey of 2,5-dithiophen-2-yl-3-(thiophen-2-ylmethyl)thiophene?
The InChIKey is SSZOYMPDIKGIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12S4/c1-4-13(18-7-1)10-12-11-16(14-5-2-8-19-14)21-17(12)15-6-3-9-20-15/h1-9,11H,10H2.
What are the key properties of 2,5-dithiophen-2-yl-3-(thiophen-2-ylmethyl)thiophene?
2,5-dithiophen-2-yl-3-(thiophen-2-ylmethyl)thiophene has a molecular weight of 344.55 g/mol, XLogP of 6.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dithiophen-2-yl-3-(thiophen-2-ylmethyl)thiophene is sourced from PubChem (CID 10246932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).