1-(2,5-dithiophen-2-yl-3H-thiophen-2-yl)ethanone

C14H12OS3 — CID 67722514

IUPAC1-(2,5-dithiophen-2-yl-3H-thiophen-2-yl)ethanone
SMILESCC(=O)C1(c2cccs2)CC=C(c2cccs2)S1
InChIInChI=1S/C14H12OS3/c1-10(15)14(13-5-3-9-17-13)7-6-12(18-14)11-4-2-8-16-11/h2-6,8-9H,7H2,1H3
InChIKeyKTQIVHSCOFMTAY-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.77
Rot. Bonds3

About 1-(2,5-dithiophen-2-yl-3H-thiophen-2-yl)ethanone

1-(2,5-dithiophen-2-yl-3H-thiophen-2-yl)ethanone (PubChem CID 67722514) has the molecular formula C14H12OS3 and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-(2,5-dithiophen-2-yl-3H-thiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dithiophen-2-yl-3H-thiophen-2-yl)ethanone
PubChem CID67722514
Molecular FormulaC14H12OS3
Molecular Weight292.45 g/mol
Exact Mass292.01
IUPAC Name1-(2,5-dithiophen-2-yl-3H-thiophen-2-yl)ethanone
SMILESCC(=O)C1(c2cccs2)CC=C(c2cccs2)S1
InChIInChI=1S/C14H12OS3/c1-10(15)14(13-5-3-9-17-13)7-6-12(18-14)11-4-2-8-16-11/h2-6,8-9H,7H2,1H3
InChIKeyKTQIVHSCOFMTAY-UHFFFAOYSA-N
XLogP4.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dithiophen-2-yl-3H-thiophen-2-yl)ethanone?
The IUPAC name of 1-(2,5-dithiophen-2-yl-3H-thiophen-2-yl)ethanone (CID 67722514) is 1-(2,5-dithiophen-2-yl-3H-thiophen-2-yl)ethanone.
What is the SMILES notation for 1-(2,5-dithiophen-2-yl-3H-thiophen-2-yl)ethanone?
The canonical SMILES for 1-(2,5-dithiophen-2-yl-3H-thiophen-2-yl)ethanone is CC(=O)C1(c2cccs2)CC=C(c2cccs2)S1.
What is the InChIKey of 1-(2,5-dithiophen-2-yl-3H-thiophen-2-yl)ethanone?
The InChIKey is KTQIVHSCOFMTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12OS3/c1-10(15)14(13-5-3-9-17-13)7-6-12(18-14)11-4-2-8-16-11/h2-6,8-9H,7H2,1H3.
What are the key properties of 1-(2,5-dithiophen-2-yl-3H-thiophen-2-yl)ethanone?
1-(2,5-dithiophen-2-yl-3H-thiophen-2-yl)ethanone has a molecular weight of 292.45 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dithiophen-2-yl-3H-thiophen-2-yl)ethanone is sourced from PubChem (CID 67722514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).