diethyl thiophene-2,5-dicarboxylate

C10H12O4S — CID 14993195

IUPACdiethyl thiophene-2,5-dicarboxylate
SMILESCCOC(=O)c1ccc(C(=O)OCC)s1
InChIInChI=1S/C10H12O4S/c1-3-13-9(11)7-5-6-8(15-7)10(12)14-4-2/h5-6H,3-4H2,1-2H3
InChIKeyFOLYMTHZDUYMGS-UHFFFAOYSA-N
MW228.27 g/mol
LogP2.10
Rot. Bonds4

About diethyl thiophene-2,5-dicarboxylate

diethyl thiophene-2,5-dicarboxylate (PubChem CID 14993195) has the molecular formula C10H12O4S and a molecular weight of 228.27 g/mol. Its IUPAC name is diethyl thiophene-2,5-dicarboxylate.

Molecular Properties

Compound Namediethyl thiophene-2,5-dicarboxylate
PubChem CID14993195
Molecular FormulaC10H12O4S
Molecular Weight228.27 g/mol
Exact Mass228.05
IUPAC Namediethyl thiophene-2,5-dicarboxylate
SMILESCCOC(=O)c1ccc(C(=O)OCC)s1
InChIInChI=1S/C10H12O4S/c1-3-13-9(11)7-5-6-8(15-7)10(12)14-4-2/h5-6H,3-4H2,1-2H3
InChIKeyFOLYMTHZDUYMGS-UHFFFAOYSA-N
XLogP2.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl thiophene-2,5-dicarboxylate?
The IUPAC name of diethyl thiophene-2,5-dicarboxylate (CID 14993195) is diethyl thiophene-2,5-dicarboxylate.
What is the SMILES notation for diethyl thiophene-2,5-dicarboxylate?
The canonical SMILES for diethyl thiophene-2,5-dicarboxylate is CCOC(=O)c1ccc(C(=O)OCC)s1.
What is the InChIKey of diethyl thiophene-2,5-dicarboxylate?
The InChIKey is FOLYMTHZDUYMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4S/c1-3-13-9(11)7-5-6-8(15-7)10(12)14-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of diethyl thiophene-2,5-dicarboxylate?
diethyl thiophene-2,5-dicarboxylate has a molecular weight of 228.27 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl thiophene-2,5-dicarboxylate is sourced from PubChem (CID 14993195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).