dimethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate

C13H10O6S — CID 54753920

IUPACdimethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate
SMILESCOC(=O)c1scc(C(=O)c2ccco2)c1C(=O)OC
InChIInChI=1S/C13H10O6S/c1-17-12(15)9-7(6-20-11(9)13(16)18-2)10(14)8-4-3-5-19-8/h3-6H,1-2H3
InChIKeyZYEIUWYFPWHGIW-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.15
Rot. Bonds4

About dimethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate

dimethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate (PubChem CID 54753920) has the molecular formula C13H10O6S and a molecular weight of 294.28 g/mol. Its IUPAC name is dimethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate
PubChem CID54753920
Molecular FormulaC13H10O6S
Molecular Weight294.28 g/mol
Exact Mass294.02
IUPAC Namedimethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate
SMILESCOC(=O)c1scc(C(=O)c2ccco2)c1C(=O)OC
InChIInChI=1S/C13H10O6S/c1-17-12(15)9-7(6-20-11(9)13(16)18-2)10(14)8-4-3-5-19-8/h3-6H,1-2H3
InChIKeyZYEIUWYFPWHGIW-UHFFFAOYSA-N
XLogP2.15
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate?
The IUPAC name of dimethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate (CID 54753920) is dimethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate?
The canonical SMILES for dimethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate is COC(=O)c1scc(C(=O)c2ccco2)c1C(=O)OC.
What is the InChIKey of dimethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate?
The InChIKey is ZYEIUWYFPWHGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O6S/c1-17-12(15)9-7(6-20-11(9)13(16)18-2)10(14)8-4-3-5-19-8/h3-6H,1-2H3.
What are the key properties of dimethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate?
dimethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate has a molecular weight of 294.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-(furan-2-carbonyl)thiophene-2,3-dicarboxylate is sourced from PubChem (CID 54753920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).