Ethyl 2-(5-chlorothiophen-2-yl)-2-ethoxyacetate

Name: Ethyl 2-(5-chlorothiophen-2-yl)-2-ethoxyacetate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₁₃ClO₃S — CID 150301919

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACethyl 2-(5-chlorothiophen-2-yl)-2-ethoxyacetate

SMILESCCOC(=O)C(OCC)c1ccc(Cl)s1

InChIInChI=1S/C10H13ClO3S/c1-3-13-9(10(12)14-4-2)7-5-6-8(11)15-7/h5-6,9H,3-4H2,1-2H3

InChIKeyGJUCXAOQLUZPNY-UHFFFAOYSA-N

MW248.73 g/mol

LogP3.04

Rot. Bonds5

About Ethyl 2-(5-chlorothiophen-2-yl)-2-ethoxyacetate

Ethyl 2-(5-chlorothiophen-2-yl)-2-ethoxyacetate (PubChem CID 150301919) has the molecular formula C₁₀H₁₃ClO₃S and a molecular weight of 248.73 g/mol. Its IUPAC name is ethyl 2-(5-chlorothiophen-2-yl)-2-ethoxyacetate.

Molecular Properties

Compound Name	Ethyl 2-(5-chlorothiophen-2-yl)-2-ethoxyacetate
PubChem CID	150301919
Molecular Formula	C₁₀H₁₃ClO₃S
Molecular Weight	248.73 g/mol
Exact Mass	248.03
IUPAC Name	ethyl 2-(5-chlorothiophen-2-yl)-2-ethoxyacetate
SMILES	CCOC(=O)C(OCC)c1ccc(Cl)s1
InChI	InChI=1S/C10H13ClO3S/c1-3-13-9(10(12)14-4-2)7-5-6-8(11)15-7/h5-6,9H,3-4H2,1-2H3
InChIKey	GJUCXAOQLUZPNY-UHFFFAOYSA-N
XLogP	3.04
TPSA	35.53 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	15
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	248.73
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Ethyl 2-(5-chlorothiophen-2-yl)-2-ethoxyacetate?

The IUPAC name of Ethyl 2-(5-chlorothiophen-2-yl)-2-ethoxyacetate (CID 150301919) is ethyl 2-(5-chlorothiophen-2-yl)-2-ethoxyacetate.

What is the SMILES notation for Ethyl 2-(5-chlorothiophen-2-yl)-2-ethoxyacetate?

The canonical SMILES for Ethyl 2-(5-chlorothiophen-2-yl)-2-ethoxyacetate is CCOC(=O)C(OCC)c1ccc(Cl)s1.

What is the InChIKey of Ethyl 2-(5-chlorothiophen-2-yl)-2-ethoxyacetate?

The InChIKey is GJUCXAOQLUZPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3S/c1-3-13-9(10(12)14-4-2)7-5-6-8(11)15-7/h5-6,9H,3-4H2,1-2H3.

What are the key properties of Ethyl 2-(5-chlorothiophen-2-yl)-2-ethoxyacetate?

Ethyl 2-(5-chlorothiophen-2-yl)-2-ethoxyacetate has a molecular weight of 248.73 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 2-(5-chlorothiophen-2-yl)-2-ethoxyacetate is sourced from PubChem (CID 150301919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 150301919 — identifiers, structure, computed properties (public domain)

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