ethyl 2-ethanethioyloxyacetate

C6H10O3S — CID 10942768

IUPACethyl 2-ethanethioyloxyacetate
SMILESCCOC(=O)COC(C)=S
InChIInChI=1S/C6H10O3S/c1-3-8-6(7)4-9-5(2)10/h3-4H2,1-2H3
InChIKeyCIDUUWIFPIEWCS-UHFFFAOYSA-N
MW162.21 g/mol
LogP0.91
Rot. Bonds3

About ethyl 2-ethanethioyloxyacetate

ethyl 2-ethanethioyloxyacetate (PubChem CID 10942768) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is ethyl 2-ethanethioyloxyacetate.

Molecular Properties

Compound Nameethyl 2-ethanethioyloxyacetate
PubChem CID10942768
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Nameethyl 2-ethanethioyloxyacetate
SMILESCCOC(=O)COC(C)=S
InChIInChI=1S/C6H10O3S/c1-3-8-6(7)4-9-5(2)10/h3-4H2,1-2H3
InChIKeyCIDUUWIFPIEWCS-UHFFFAOYSA-N
XLogP0.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethanethioyloxyacetate?
The IUPAC name of ethyl 2-ethanethioyloxyacetate (CID 10942768) is ethyl 2-ethanethioyloxyacetate.
What is the SMILES notation for ethyl 2-ethanethioyloxyacetate?
The canonical SMILES for ethyl 2-ethanethioyloxyacetate is CCOC(=O)COC(C)=S.
What is the InChIKey of ethyl 2-ethanethioyloxyacetate?
The InChIKey is CIDUUWIFPIEWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-3-8-6(7)4-9-5(2)10/h3-4H2,1-2H3.
What are the key properties of ethyl 2-ethanethioyloxyacetate?
ethyl 2-ethanethioyloxyacetate has a molecular weight of 162.21 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethanethioyloxyacetate is sourced from PubChem (CID 10942768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).