3-ethyl-5-sulfanyl-1,3-oxazolidine-2,4-dione

C5H7NO3S — CID 57436913

IUPAC3-ethyl-5-sulfanyl-1,3-oxazolidine-2,4-dione
SMILESCCN1C(=O)OC(S)C1=O
InChIInChI=1S/C5H7NO3S/c1-2-6-3(7)4(10)9-5(6)8/h4,10H,2H2,1H3
InChIKeyQKYSWLQSOUTWRO-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.24
Rot. Bonds1

About 3-ethyl-5-sulfanyl-1,3-oxazolidine-2,4-dione

3-ethyl-5-sulfanyl-1,3-oxazolidine-2,4-dione (PubChem CID 57436913) has the molecular formula C5H7NO3S and a molecular weight of 161.18 g/mol. Its IUPAC name is 3-ethyl-5-sulfanyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-ethyl-5-sulfanyl-1,3-oxazolidine-2,4-dione
PubChem CID57436913
Molecular FormulaC5H7NO3S
Molecular Weight161.18 g/mol
Exact Mass161.01
IUPAC Name3-ethyl-5-sulfanyl-1,3-oxazolidine-2,4-dione
SMILESCCN1C(=O)OC(S)C1=O
InChIInChI=1S/C5H7NO3S/c1-2-6-3(7)4(10)9-5(6)8/h4,10H,2H2,1H3
InChIKeyQKYSWLQSOUTWRO-UHFFFAOYSA-N
XLogP0.24
TPSA46.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-sulfanyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-ethyl-5-sulfanyl-1,3-oxazolidine-2,4-dione (CID 57436913) is 3-ethyl-5-sulfanyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-ethyl-5-sulfanyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-ethyl-5-sulfanyl-1,3-oxazolidine-2,4-dione is CCN1C(=O)OC(S)C1=O.
What is the InChIKey of 3-ethyl-5-sulfanyl-1,3-oxazolidine-2,4-dione?
The InChIKey is QKYSWLQSOUTWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3S/c1-2-6-3(7)4(10)9-5(6)8/h4,10H,2H2,1H3.
What are the key properties of 3-ethyl-5-sulfanyl-1,3-oxazolidine-2,4-dione?
3-ethyl-5-sulfanyl-1,3-oxazolidine-2,4-dione has a molecular weight of 161.18 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-sulfanyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 57436913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).