5-ethoxy-1,2,4-dithiazol-3-one

C4H5NO2S2 — CID 10986576

IUPAC5-ethoxy-1,2,4-dithiazol-3-one
SMILESCCOc1nc(=O)ss1
InChIInChI=1S/C4H5NO2S2/c1-2-7-4-5-3(6)8-9-4/h2H2,1H3
InChIKeyRZIJZXUDFRSADE-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.96
Rot. Bonds2

About 5-ethoxy-1,2,4-dithiazol-3-one

5-ethoxy-1,2,4-dithiazol-3-one (PubChem CID 10986576) has the molecular formula C4H5NO2S2 and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-ethoxy-1,2,4-dithiazol-3-one.

Molecular Properties

Compound Name5-ethoxy-1,2,4-dithiazol-3-one
PubChem CID10986576
Molecular FormulaC4H5NO2S2
Molecular Weight163.22 g/mol
Exact Mass162.98
IUPAC Name5-ethoxy-1,2,4-dithiazol-3-one
SMILESCCOc1nc(=O)ss1
InChIInChI=1S/C4H5NO2S2/c1-2-7-4-5-3(6)8-9-4/h2H2,1H3
InChIKeyRZIJZXUDFRSADE-UHFFFAOYSA-N
XLogP0.96
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-ethoxy-1,2,4-dithiazol-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,2,4-dithiazol-3-one?
The IUPAC name of 5-ethoxy-1,2,4-dithiazol-3-one (CID 10986576) is 5-ethoxy-1,2,4-dithiazol-3-one.
What is the SMILES notation for 5-ethoxy-1,2,4-dithiazol-3-one?
The canonical SMILES for 5-ethoxy-1,2,4-dithiazol-3-one is CCOc1nc(=O)ss1.
What is the InChIKey of 5-ethoxy-1,2,4-dithiazol-3-one?
The InChIKey is RZIJZXUDFRSADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2S2/c1-2-7-4-5-3(6)8-9-4/h2H2,1H3.
What are the key properties of 5-ethoxy-1,2,4-dithiazol-3-one?
5-ethoxy-1,2,4-dithiazol-3-one has a molecular weight of 163.22 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,2,4-dithiazol-3-one is sourced from PubChem (CID 10986576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).