ethyl 1-benzothiophene-2-carboxylate

C11H10O2S — CID 10889055

IUPACethyl 1-benzothiophene-2-carboxylate
SMILESCCOC(=O)c1cc2ccccc2s1
InChIInChI=1S/C11H10O2S/c1-2-13-11(12)10-7-8-5-3-4-6-9(8)14-10/h3-7H,2H2,1H3
InChIKeyPSLMIXGNCNQQRY-UHFFFAOYSA-N
MW206.27 g/mol
LogP3.08
Rot. Bonds2

About ethyl 1-benzothiophene-2-carboxylate

ethyl 1-benzothiophene-2-carboxylate (PubChem CID 10889055) has the molecular formula C11H10O2S and a molecular weight of 206.27 g/mol. Its IUPAC name is ethyl 1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzothiophene-2-carboxylate
PubChem CID10889055
Molecular FormulaC11H10O2S
Molecular Weight206.27 g/mol
Exact Mass206.04
IUPAC Nameethyl 1-benzothiophene-2-carboxylate
SMILESCCOC(=O)c1cc2ccccc2s1
InChIInChI=1S/C11H10O2S/c1-2-13-11(12)10-7-8-5-3-4-6-9(8)14-10/h3-7H,2H2,1H3
InChIKeyPSLMIXGNCNQQRY-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzothiophene-2-carboxylate?
The IUPAC name of ethyl 1-benzothiophene-2-carboxylate (CID 10889055) is ethyl 1-benzothiophene-2-carboxylate.
What is the SMILES notation for ethyl 1-benzothiophene-2-carboxylate?
The canonical SMILES for ethyl 1-benzothiophene-2-carboxylate is CCOC(=O)c1cc2ccccc2s1.
What is the InChIKey of ethyl 1-benzothiophene-2-carboxylate?
The InChIKey is PSLMIXGNCNQQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S/c1-2-13-11(12)10-7-8-5-3-4-6-9(8)14-10/h3-7H,2H2,1H3.
What are the key properties of ethyl 1-benzothiophene-2-carboxylate?
ethyl 1-benzothiophene-2-carboxylate has a molecular weight of 206.27 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzothiophene-2-carboxylate is sourced from PubChem (CID 10889055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).