ethyl 2-methylthiophene-3-carboxylate

C8H10O2S — CID 10464736

IUPACethyl 2-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1C
InChIInChI=1S/C8H10O2S/c1-3-10-8(9)7-4-5-11-6(7)2/h4-5H,3H2,1-2H3
InChIKeyGNOBQWZOPPOTMC-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.23
Rot. Bonds2

About ethyl 2-methylthiophene-3-carboxylate

ethyl 2-methylthiophene-3-carboxylate (PubChem CID 10464736) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is ethyl 2-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methylthiophene-3-carboxylate
PubChem CID10464736
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Nameethyl 2-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1C
InChIInChI=1S/C8H10O2S/c1-3-10-8(9)7-4-5-11-6(7)2/h4-5H,3H2,1-2H3
InChIKeyGNOBQWZOPPOTMC-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 2-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-methylthiophene-3-carboxylate (CID 10464736) is ethyl 2-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-methylthiophene-3-carboxylate is CCOC(=O)c1ccsc1C.
What is the InChIKey of ethyl 2-methylthiophene-3-carboxylate?
The InChIKey is GNOBQWZOPPOTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-3-10-8(9)7-4-5-11-6(7)2/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 2-methylthiophene-3-carboxylate?
ethyl 2-methylthiophene-3-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 2-methylthiophene-3-carboxylate is sourced from PubChem (CID 10464736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).