2-(5-oxooxolan-3-yl)oxyethyl 2-sulfanylacetate

C8H12O5S — CID 138601173

IUPAC2-(5-oxooxolan-3-yl)oxyethyl 2-sulfanylacetate
SMILESO=C(CS)OCCOC1COC(=O)C1
InChIInChI=1S/C8H12O5S/c9-7-3-6(4-13-7)11-1-2-12-8(10)5-14/h6,14H,1-5H2
InChIKeyQIBOEHVKLPBSHD-UHFFFAOYSA-N
MW220.25 g/mol
LogP-0.21
Rot. Bonds5

About 2-(5-oxooxolan-3-yl)oxyethyl 2-sulfanylacetate

2-(5-oxooxolan-3-yl)oxyethyl 2-sulfanylacetate (PubChem CID 138601173) has the molecular formula C8H12O5S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-(5-oxooxolan-3-yl)oxyethyl 2-sulfanylacetate.

Molecular Properties

Compound Name2-(5-oxooxolan-3-yl)oxyethyl 2-sulfanylacetate
PubChem CID138601173
Molecular FormulaC8H12O5S
Molecular Weight220.25 g/mol
Exact Mass220.04
IUPAC Name2-(5-oxooxolan-3-yl)oxyethyl 2-sulfanylacetate
SMILESO=C(CS)OCCOC1COC(=O)C1
InChIInChI=1S/C8H12O5S/c9-7-3-6(4-13-7)11-1-2-12-8(10)5-14/h6,14H,1-5H2
InChIKeyQIBOEHVKLPBSHD-UHFFFAOYSA-N
XLogP-0.21
TPSA61.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxooxolan-3-yl)oxyethyl 2-sulfanylacetate?
The IUPAC name of 2-(5-oxooxolan-3-yl)oxyethyl 2-sulfanylacetate (CID 138601173) is 2-(5-oxooxolan-3-yl)oxyethyl 2-sulfanylacetate.
What is the SMILES notation for 2-(5-oxooxolan-3-yl)oxyethyl 2-sulfanylacetate?
The canonical SMILES for 2-(5-oxooxolan-3-yl)oxyethyl 2-sulfanylacetate is O=C(CS)OCCOC1COC(=O)C1.
What is the InChIKey of 2-(5-oxooxolan-3-yl)oxyethyl 2-sulfanylacetate?
The InChIKey is QIBOEHVKLPBSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O5S/c9-7-3-6(4-13-7)11-1-2-12-8(10)5-14/h6,14H,1-5H2.
What are the key properties of 2-(5-oxooxolan-3-yl)oxyethyl 2-sulfanylacetate?
2-(5-oxooxolan-3-yl)oxyethyl 2-sulfanylacetate has a molecular weight of 220.25 g/mol, XLogP of -0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxooxolan-3-yl)oxyethyl 2-sulfanylacetate is sourced from PubChem (CID 138601173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).