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

C10H13ClO3S — CID 150301919

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 Nameethyl 2-(5-chlorothiophen-2-yl)-2-ethoxyacetate
PubChem CID150301919
Molecular FormulaC10H13ClO3S
Molecular Weight248.73 g/mol
Exact Mass248.03
IUPAC Nameethyl 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
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(5-chlorothiophen-2-yl)-2-sulfanylacetate
CID 170987502
ethyl 2-benzamido-2-(5-chlorothiophen-2-yl)acetate
CID 72734768
ethyl 6-amino-6-(5-chlorothiophen-2-yl)hexanoate
CID 60862670
1-(5-bromothiophen-2-yl)-1-ethoxypentan-2-one
CID 83226219
ethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate
CID 62962765
1-(5-chlorothiophen-2-yl)propan-1-amine;oxalic acid
CID 19830112
ethyl 2-(5-chlorothiophen-2-yl)-2-hydroxyethanimidate
CID 12962614
diethyl 2-[(5-chlorothiophene-2-carbonyl)amino]propanedioate
CID 33241351
methyl (2S)-2-amino-2-(5-chlorothiophen-2-yl)acetate
CID 12968026
[1-(5-chlorothiophen-2-yl)-2-ethoxybutyl]hydrazine
CID 105271107
1-(5-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanamine
CID 116723193
[(2S)-3-amino-2-(5-chlorothiophen-2-yl)-3-oxopropyl] N-oxocarbamate
CID 141061716

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).