ethyl 3-ethylthiophene-2-carboxylate

C9H12O2S — CID 14710233

IUPACethyl 3-ethylthiophene-2-carboxylate
SMILESCCOC(=O)c1sccc1CC
InChIInChI=1S/C9H12O2S/c1-3-7-5-6-12-8(7)9(10)11-4-2/h5-6H,3-4H2,1-2H3
InChIKeyIPXVPFQNNFFLTI-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.49
Rot. Bonds3

About ethyl 3-ethylthiophene-2-carboxylate

ethyl 3-ethylthiophene-2-carboxylate (PubChem CID 14710233) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is ethyl 3-ethylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethylthiophene-2-carboxylate
PubChem CID14710233
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Nameethyl 3-ethylthiophene-2-carboxylate
SMILESCCOC(=O)c1sccc1CC
InChIInChI=1S/C9H12O2S/c1-3-7-5-6-12-8(7)9(10)11-4-2/h5-6H,3-4H2,1-2H3
InChIKeyIPXVPFQNNFFLTI-UHFFFAOYSA-N
XLogP2.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethylthiophene-2-carboxylate?
The IUPAC name of ethyl 3-ethylthiophene-2-carboxylate (CID 14710233) is ethyl 3-ethylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-ethylthiophene-2-carboxylate?
The canonical SMILES for ethyl 3-ethylthiophene-2-carboxylate is CCOC(=O)c1sccc1CC.
What is the InChIKey of ethyl 3-ethylthiophene-2-carboxylate?
The InChIKey is IPXVPFQNNFFLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-3-7-5-6-12-8(7)9(10)11-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of ethyl 3-ethylthiophene-2-carboxylate?
ethyl 3-ethylthiophene-2-carboxylate has a molecular weight of 184.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethylthiophene-2-carboxylate is sourced from PubChem (CID 14710233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).