diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate

C12H12O4S2 — CID 11033401

IUPACdiethyl thieno[2,3-b]thiophene-2,5-dicarboxylate
SMILESCCOC(=O)c1cc2cc(C(=O)OCC)sc2s1
InChIInChI=1S/C12H12O4S2/c1-3-15-10(13)8-5-7-6-9(11(14)16-4-2)18-12(7)17-8/h5-6H,3-4H2,1-2H3
InChIKeyTUQMQRYQWOACAQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.32
Rot. Bonds4

About diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate

diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate (PubChem CID 11033401) has the molecular formula C12H12O4S2 and a molecular weight of 284.36 g/mol. Its IUPAC name is diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate.

Molecular Properties

Compound Namediethyl thieno[2,3-b]thiophene-2,5-dicarboxylate
PubChem CID11033401
Molecular FormulaC12H12O4S2
Molecular Weight284.36 g/mol
Exact Mass284.02
IUPAC Namediethyl thieno[2,3-b]thiophene-2,5-dicarboxylate
SMILESCCOC(=O)c1cc2cc(C(=O)OCC)sc2s1
InChIInChI=1S/C12H12O4S2/c1-3-15-10(13)8-5-7-6-9(11(14)16-4-2)18-12(7)17-8/h5-6H,3-4H2,1-2H3
InChIKeyTUQMQRYQWOACAQ-UHFFFAOYSA-N
XLogP3.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-bromothieno[2,3-b]thiophene-2-carboxylate
CID 133055284
ethyl 5,6,7-trimethyl-1-benzothiophene-2-carboxylate
CID 158313823
diethyl 3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-dicarboxylate
CID 11290764
ethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61310193
ethyl 4-hydroxy-5-methylthiophene-2-carboxylate
CID 588232
diethyl thieno[3,2-e][1]benzothiole-2,7-dicarboxylate
CID 171984196
diethyl 5-aminothiophene-2,4-dicarboxylate
CID 4082907
ethyl 3-carbamoylthieno[2,3-b]thiophene-5-carboxylate
CID 133062404
ethyl 5-fluoro-1-benzothiophene-2-carboxylate
CID 23261724
ethyl 6-methoxy-1-benzothiophene-2-carboxylate
CID 11831419
ethyl 7-bromo-1-benzothiophene-2-carboxylate
CID 71695295
ethyl naphtho[1,2-g][1]benzothiole-2-carboxylate
CID 14770247

Frequently Asked Questions

What is the IUPAC name of diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate?
The IUPAC name of diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate (CID 11033401) is diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate.
What is the SMILES notation for diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate?
The canonical SMILES for diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate is CCOC(=O)c1cc2cc(C(=O)OCC)sc2s1.
What is the InChIKey of diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate?
The InChIKey is TUQMQRYQWOACAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4S2/c1-3-15-10(13)8-5-7-6-9(11(14)16-4-2)18-12(7)17-8/h5-6H,3-4H2,1-2H3.
What are the key properties of diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate?
diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate has a molecular weight of 284.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl thieno[2,3-b]thiophene-2,5-dicarboxylate is sourced from PubChem (CID 11033401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).