(2-ethoxy-2-sulfanylideneethyl) acetate

C6H10O3S — CID 57317236

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

About (2-ethoxy-2-sulfanylideneethyl) acetate

(2-ethoxy-2-sulfanylideneethyl) acetate (PubChem CID 57317236) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is (2-ethoxy-2-sulfanylideneethyl) acetate.

Molecular Properties

Compound Name(2-ethoxy-2-sulfanylideneethyl) acetate
PubChem CID57317236
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name(2-ethoxy-2-sulfanylideneethyl) acetate
SMILESCCOC(=S)COC(C)=O
InChIInChI=1S/C6H10O3S/c1-3-8-6(10)4-9-5(2)7/h3-4H2,1-2H3
InChIKeyBELXIYYQIDBHKW-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'}

Analyze (2-ethoxy-2-sulfanylideneethyl) acetate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl acetate;octacontahydrate
CID 173077486
ethyl acetate;pentacontahydrate
CID 173010597
ethyl acetate;pentahydrate
CID 173286699
ethyl acetate;octacontahydrate
CID 173010859
ethyl acetate;heptahydrate
CID 173010679
ethyl acetate;tetrahydrate
CID 173019761
ethyl acetate;nickel;pentahydrate
CID 175168185
ethyl acetate;methanol;hydrate
CID 87229017
lithium;ethyl acetate;hydroxide;hydrate
CID 174848728
ethanol;ethyl acetate;hydrate
CID 86601158
sodium;ethyl acetate;hydroxide;hydrate
CID 174492243
ethyl acetate;λ2-plumbane
CID 173068495

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-sulfanylideneethyl) acetate?
The IUPAC name of (2-ethoxy-2-sulfanylideneethyl) acetate (CID 57317236) is (2-ethoxy-2-sulfanylideneethyl) acetate.
What is the SMILES notation for (2-ethoxy-2-sulfanylideneethyl) acetate?
The canonical SMILES for (2-ethoxy-2-sulfanylideneethyl) acetate is CCOC(=S)COC(C)=O.
What is the InChIKey of (2-ethoxy-2-sulfanylideneethyl) acetate?
The InChIKey is BELXIYYQIDBHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-3-8-6(10)4-9-5(2)7/h3-4H2,1-2H3.
What are the key properties of (2-ethoxy-2-sulfanylideneethyl) acetate?
(2-ethoxy-2-sulfanylideneethyl) acetate 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 (2-ethoxy-2-sulfanylideneethyl) acetate is sourced from PubChem (CID 57317236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).