5,6-dithiophen-2-ylpyran-2-one

C13H8O2S2 — CID 72735728

IUPAC5,6-dithiophen-2-ylpyran-2-one
SMILESO=c1ccc(-c2cccs2)c(-c2cccs2)o1
InChIInChI=1S/C13H8O2S2/c14-12-6-5-9(10-3-1-7-16-10)13(15-12)11-4-2-8-17-11/h1-8H
InChIKeyTVTNSLGJWZPHSY-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.10
Rot. Bonds2

About 5,6-dithiophen-2-ylpyran-2-one

5,6-dithiophen-2-ylpyran-2-one (PubChem CID 72735728) has the molecular formula C13H8O2S2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5,6-dithiophen-2-ylpyran-2-one.

Molecular Properties

Compound Name5,6-dithiophen-2-ylpyran-2-one
PubChem CID72735728
Molecular FormulaC13H8O2S2
Molecular Weight260.34 g/mol
Exact Mass260.00
IUPAC Name5,6-dithiophen-2-ylpyran-2-one
SMILESO=c1ccc(-c2cccs2)c(-c2cccs2)o1
InChIInChI=1S/C13H8O2S2/c14-12-6-5-9(10-3-1-7-16-10)13(15-12)11-4-2-8-17-11/h1-8H
InChIKeyTVTNSLGJWZPHSY-UHFFFAOYSA-N
XLogP4.10
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dithiophen-2-ylpyran-2-one?
The IUPAC name of 5,6-dithiophen-2-ylpyran-2-one (CID 72735728) is 5,6-dithiophen-2-ylpyran-2-one.
What is the SMILES notation for 5,6-dithiophen-2-ylpyran-2-one?
The canonical SMILES for 5,6-dithiophen-2-ylpyran-2-one is O=c1ccc(-c2cccs2)c(-c2cccs2)o1.
What is the InChIKey of 5,6-dithiophen-2-ylpyran-2-one?
The InChIKey is TVTNSLGJWZPHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O2S2/c14-12-6-5-9(10-3-1-7-16-10)13(15-12)11-4-2-8-17-11/h1-8H.
What are the key properties of 5,6-dithiophen-2-ylpyran-2-one?
5,6-dithiophen-2-ylpyran-2-one has a molecular weight of 260.34 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dithiophen-2-ylpyran-2-one is sourced from PubChem (CID 72735728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).