O-ethyl [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylmethanethioate

C8H11NO4S2 — CID 11425203

IUPACO-ethyl [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylmethanethioate
SMILESCCOC(=S)SCC(=O)N1CCOC1=O
InChIInChI=1S/C8H11NO4S2/c1-2-12-8(14)15-5-6(10)9-3-4-13-7(9)11/h2-5H2,1H3
InChIKeyIMBXNHISCSABPR-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.02
Rot. Bonds3

About O-ethyl [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylmethanethioate

O-ethyl [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylmethanethioate (PubChem CID 11425203) has the molecular formula C8H11NO4S2 and a molecular weight of 249.31 g/mol. Its IUPAC name is O-ethyl [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylmethanethioate.

Molecular Properties

Compound NameO-ethyl [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylmethanethioate
PubChem CID11425203
Molecular FormulaC8H11NO4S2
Molecular Weight249.31 g/mol
Exact Mass249.01
IUPAC NameO-ethyl [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylmethanethioate
SMILESCCOC(=S)SCC(=O)N1CCOC1=O
InChIInChI=1S/C8H11NO4S2/c1-2-12-8(14)15-5-6(10)9-3-4-13-7(9)11/h2-5H2,1H3
InChIKeyIMBXNHISCSABPR-UHFFFAOYSA-N
XLogP1.02
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 O-ethyl [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylmethanethioate?
The IUPAC name of O-ethyl [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylmethanethioate (CID 11425203) is O-ethyl [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylmethanethioate.
What is the SMILES notation for O-ethyl [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylmethanethioate?
The canonical SMILES for O-ethyl [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylmethanethioate is CCOC(=S)SCC(=O)N1CCOC1=O.
What is the InChIKey of O-ethyl [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylmethanethioate?
The InChIKey is IMBXNHISCSABPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4S2/c1-2-12-8(14)15-5-6(10)9-3-4-13-7(9)11/h2-5H2,1H3.
What are the key properties of O-ethyl [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylmethanethioate?
O-ethyl [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylmethanethioate has a molecular weight of 249.31 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for O-ethyl [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]sulfanylmethanethioate is sourced from PubChem (CID 11425203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).