ethyl 3,5-dimethylthiophene-2-carboxylate

C9H12O2S — CID 14710214

IUPACethyl 3,5-dimethylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(C)cc1C
InChIInChI=1S/C9H12O2S/c1-4-11-9(10)8-6(2)5-7(3)12-8/h5H,4H2,1-3H3
InChIKeyXTHMRMWROXKFCZ-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.54
Rot. Bonds2

About ethyl 3,5-dimethylthiophene-2-carboxylate

ethyl 3,5-dimethylthiophene-2-carboxylate (PubChem CID 14710214) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is ethyl 3,5-dimethylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,5-dimethylthiophene-2-carboxylate
PubChem CID14710214
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Nameethyl 3,5-dimethylthiophene-2-carboxylate
SMILESCCOC(=O)c1sc(C)cc1C
InChIInChI=1S/C9H12O2S/c1-4-11-9(10)8-6(2)5-7(3)12-8/h5H,4H2,1-3H3
InChIKeyXTHMRMWROXKFCZ-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dimethylthiophene-2-carboxylate?
The IUPAC name of ethyl 3,5-dimethylthiophene-2-carboxylate (CID 14710214) is ethyl 3,5-dimethylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 3,5-dimethylthiophene-2-carboxylate?
The canonical SMILES for ethyl 3,5-dimethylthiophene-2-carboxylate is CCOC(=O)c1sc(C)cc1C.
What is the InChIKey of ethyl 3,5-dimethylthiophene-2-carboxylate?
The InChIKey is XTHMRMWROXKFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-4-11-9(10)8-6(2)5-7(3)12-8/h5H,4H2,1-3H3.
What are the key properties of ethyl 3,5-dimethylthiophene-2-carboxylate?
ethyl 3,5-dimethylthiophene-2-carboxylate has a molecular weight of 184.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-dimethylthiophene-2-carboxylate is sourced from PubChem (CID 14710214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).