2-thieno[2,3-b]thiophen-5-yl-1,3-dioxolane

C9H8O2S2 — CID 14460452

IUPAC2-thieno[2,3-b]thiophen-5-yl-1,3-dioxolane
SMILESc1cc2cc(C3OCCO3)sc2s1
InChIInChI=1S/C9H8O2S2/c1-4-12-9-6(1)5-7(13-9)8-10-2-3-11-8/h1,4-5,8H,2-3H2
InChIKeyVCEJOYXCZOEKCF-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.01
Rot. Bonds1

About 2-thieno[2,3-b]thiophen-5-yl-1,3-dioxolane

2-thieno[2,3-b]thiophen-5-yl-1,3-dioxolane (PubChem CID 14460452) has the molecular formula C9H8O2S2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-thieno[2,3-b]thiophen-5-yl-1,3-dioxolane.

Molecular Properties

Compound Name2-thieno[2,3-b]thiophen-5-yl-1,3-dioxolane
PubChem CID14460452
Molecular FormulaC9H8O2S2
Molecular Weight212.29 g/mol
Exact Mass212.00
IUPAC Name2-thieno[2,3-b]thiophen-5-yl-1,3-dioxolane
SMILESc1cc2cc(C3OCCO3)sc2s1
InChIInChI=1S/C9H8O2S2/c1-4-12-9-6(1)5-7(13-9)8-10-2-3-11-8/h1,4-5,8H,2-3H2
InChIKeyVCEJOYXCZOEKCF-UHFFFAOYSA-N
XLogP3.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thieno[2,3-b]thiophen-5-yl-1,3-dioxolane?
The IUPAC name of 2-thieno[2,3-b]thiophen-5-yl-1,3-dioxolane (CID 14460452) is 2-thieno[2,3-b]thiophen-5-yl-1,3-dioxolane.
What is the SMILES notation for 2-thieno[2,3-b]thiophen-5-yl-1,3-dioxolane?
The canonical SMILES for 2-thieno[2,3-b]thiophen-5-yl-1,3-dioxolane is c1cc2cc(C3OCCO3)sc2s1.
What is the InChIKey of 2-thieno[2,3-b]thiophen-5-yl-1,3-dioxolane?
The InChIKey is VCEJOYXCZOEKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2S2/c1-4-12-9-6(1)5-7(13-9)8-10-2-3-11-8/h1,4-5,8H,2-3H2.
What are the key properties of 2-thieno[2,3-b]thiophen-5-yl-1,3-dioxolane?
2-thieno[2,3-b]thiophen-5-yl-1,3-dioxolane has a molecular weight of 212.29 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thieno[2,3-b]thiophen-5-yl-1,3-dioxolane is sourced from PubChem (CID 14460452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).