ethyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate

C11H12O2S2 — CID 155817872

IUPACethyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate
SMILESCCOC(=O)Cc1csc2sc(C)cc12
InChIInChI=1S/C11H12O2S2/c1-3-13-10(12)5-8-6-14-11-9(8)4-7(2)15-11/h4,6H,3,5H2,1-2H3
InChIKeyPAPZCFBXWYCEMH-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.38
Rot. Bonds3

About ethyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate

ethyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate (PubChem CID 155817872) has the molecular formula C11H12O2S2 and a molecular weight of 240.35 g/mol. Its IUPAC name is ethyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate
PubChem CID155817872
Molecular FormulaC11H12O2S2
Molecular Weight240.35 g/mol
Exact Mass240.03
IUPAC Nameethyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate
SMILESCCOC(=O)Cc1csc2sc(C)cc12
InChIInChI=1S/C11H12O2S2/c1-3-13-10(12)5-8-6-14-11-9(8)4-7(2)15-11/h4,6H,3,5H2,1-2H3
InChIKeyPAPZCFBXWYCEMH-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate?
The IUPAC name of ethyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate (CID 155817872) is ethyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate.
What is the SMILES notation for ethyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate?
The canonical SMILES for ethyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate is CCOC(=O)Cc1csc2sc(C)cc12.
What is the InChIKey of ethyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate?
The InChIKey is PAPZCFBXWYCEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S2/c1-3-13-10(12)5-8-6-14-11-9(8)4-7(2)15-11/h4,6H,3,5H2,1-2H3.
What are the key properties of ethyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate?
ethyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate has a molecular weight of 240.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methylthieno[2,3-b]thiophen-3-yl)acetate is sourced from PubChem (CID 155817872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).