ethyl 5-methylthiophene-2-carboxylate

C8H10O2S — CID 11019293

IUPACethyl 5-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(C)s1
InChIInChI=1S/C8H10O2S/c1-3-10-8(9)7-5-4-6(2)11-7/h4-5H,3H2,1-2H3
InChIKeyNYXZOVWQCSRKMZ-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.23
Rot. Bonds2

About ethyl 5-methylthiophene-2-carboxylate

ethyl 5-methylthiophene-2-carboxylate (PubChem CID 11019293) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is ethyl 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-methylthiophene-2-carboxylate
PubChem CID11019293
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Nameethyl 5-methylthiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(C)s1
InChIInChI=1S/C8H10O2S/c1-3-10-8(9)7-5-4-6(2)11-7/h4-5H,3H2,1-2H3
InChIKeyNYXZOVWQCSRKMZ-UHFFFAOYSA-N
XLogP2.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methylthiophene-2-carboxylate?
The IUPAC name of ethyl 5-methylthiophene-2-carboxylate (CID 11019293) is ethyl 5-methylthiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-methylthiophene-2-carboxylate?
The canonical SMILES for ethyl 5-methylthiophene-2-carboxylate is CCOC(=O)c1ccc(C)s1.
What is the InChIKey of ethyl 5-methylthiophene-2-carboxylate?
The InChIKey is NYXZOVWQCSRKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-3-10-8(9)7-5-4-6(2)11-7/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 5-methylthiophene-2-carboxylate?
ethyl 5-methylthiophene-2-carboxylate has a molecular weight of 170.23 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 11019293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).