ethyl 2-(2-ethoxy-2-sulfanylideneethoxy)acetate

C8H14O4S — CID 86595203

IUPACethyl 2-(2-ethoxy-2-sulfanylideneethoxy)acetate
SMILESCCOC(=O)COCC(=S)OCC
InChIInChI=1S/C8H14O4S/c1-3-11-7(9)5-10-6-8(13)12-4-2/h3-6H2,1-2H3
InChIKeyVVUPPQODXPSTLT-UHFFFAOYSA-N
MW206.26 g/mol
LogP0.93
Rot. Bonds6

About ethyl 2-(2-ethoxy-2-sulfanylideneethoxy)acetate

ethyl 2-(2-ethoxy-2-sulfanylideneethoxy)acetate (PubChem CID 86595203) has the molecular formula C8H14O4S and a molecular weight of 206.26 g/mol. Its IUPAC name is ethyl 2-(2-ethoxy-2-sulfanylideneethoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(2-ethoxy-2-sulfanylideneethoxy)acetate
PubChem CID86595203
Molecular FormulaC8H14O4S
Molecular Weight206.26 g/mol
Exact Mass206.06
IUPAC Nameethyl 2-(2-ethoxy-2-sulfanylideneethoxy)acetate
SMILESCCOC(=O)COCC(=S)OCC
InChIInChI=1S/C8H14O4S/c1-3-11-7(9)5-10-6-8(13)12-4-2/h3-6H2,1-2H3
InChIKeyVVUPPQODXPSTLT-UHFFFAOYSA-N
XLogP0.93
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-(2-ethoxy-2-sulfanylideneethoxy)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

2-(2-ethoxy-2-oxoethoxy)acetic acid
CID 11305696
ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
(2-ethoxy-2-sulfanylideneethyl) acetate
CID 57317236
benzene;ethyl 2-ethoxyacetate
CID 174867683
ethyl 2-(2-methylbut-2-enoxy)acetate
CID 123178116
ethyl 4-(2-methoxy-2-oxoethoxy)-3-oxobutanoate
CID 13457217
ethyl 2-(2-sulfanylethoxy)acetate
CID 174809512
ethyl 2-butoxyacetate
CID 14419651
ethyl 5-ethoxy-5-sulfanylidenepentanoate
CID 54196447
ethyl 2-[2-(3-methylbutoxy)-2-oxoethoxy]acetate
CID 91695893
ethyl 2-ethoxyacetate;ethyl 3-ethoxypropanoate
CID 158132975
ethyl 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetate
CID 22471885

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-ethoxy-2-sulfanylideneethoxy)acetate?
The IUPAC name of ethyl 2-(2-ethoxy-2-sulfanylideneethoxy)acetate (CID 86595203) is ethyl 2-(2-ethoxy-2-sulfanylideneethoxy)acetate.
What is the SMILES notation for ethyl 2-(2-ethoxy-2-sulfanylideneethoxy)acetate?
The canonical SMILES for ethyl 2-(2-ethoxy-2-sulfanylideneethoxy)acetate is CCOC(=O)COCC(=S)OCC.
What is the InChIKey of ethyl 2-(2-ethoxy-2-sulfanylideneethoxy)acetate?
The InChIKey is VVUPPQODXPSTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S/c1-3-11-7(9)5-10-6-8(13)12-4-2/h3-6H2,1-2H3.
What are the key properties of ethyl 2-(2-ethoxy-2-sulfanylideneethoxy)acetate?
ethyl 2-(2-ethoxy-2-sulfanylideneethoxy)acetate has a molecular weight of 206.26 g/mol, XLogP of 0.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-ethoxy-2-sulfanylideneethoxy)acetate is sourced from PubChem (CID 86595203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).