ethyl 2-thiophen-3-ylselanylacetate

C8H10O2SSe — CID 13099964

IUPACethyl 2-thiophen-3-ylselanylacetate
SMILESCCOC(=O)C[Se]c1ccsc1
InChIInChI=1S/C8H10O2SSe/c1-2-10-8(9)6-12-7-3-4-11-5-7/h3-5H,2,6H2,1H3
InChIKeyCAHDNCYHJDZDEP-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.06
Rot. Bonds4

About ethyl 2-thiophen-3-ylselanylacetate

ethyl 2-thiophen-3-ylselanylacetate (PubChem CID 13099964) has the molecular formula C8H10O2SSe and a molecular weight of 249.19 g/mol. Its IUPAC name is ethyl 2-thiophen-3-ylselanylacetate.

Molecular Properties

Compound Nameethyl 2-thiophen-3-ylselanylacetate
PubChem CID13099964
Molecular FormulaC8H10O2SSe
Molecular Weight249.19 g/mol
Exact Mass249.96
IUPAC Nameethyl 2-thiophen-3-ylselanylacetate
SMILESCCOC(=O)C[Se]c1ccsc1
InChIInChI=1S/C8H10O2SSe/c1-2-10-8(9)6-12-7-3-4-11-5-7/h3-5H,2,6H2,1H3
InChIKeyCAHDNCYHJDZDEP-UHFFFAOYSA-N
XLogP1.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-thiophen-3-ylselanylacetate?
The IUPAC name of ethyl 2-thiophen-3-ylselanylacetate (CID 13099964) is ethyl 2-thiophen-3-ylselanylacetate.
What is the SMILES notation for ethyl 2-thiophen-3-ylselanylacetate?
The canonical SMILES for ethyl 2-thiophen-3-ylselanylacetate is CCOC(=O)C[Se]c1ccsc1.
What is the InChIKey of ethyl 2-thiophen-3-ylselanylacetate?
The InChIKey is CAHDNCYHJDZDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2SSe/c1-2-10-8(9)6-12-7-3-4-11-5-7/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-thiophen-3-ylselanylacetate?
ethyl 2-thiophen-3-ylselanylacetate has a molecular weight of 249.19 g/mol, XLogP of 1.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-thiophen-3-ylselanylacetate is sourced from PubChem (CID 13099964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).