ethyl 2-methoxy-2-phenylsulfanylacetate

C11H14O3S — CID 15710955

IUPACethyl 2-methoxy-2-phenylsulfanylacetate
SMILESCCOC(=O)C(OC)Sc1ccccc1
InChIInChI=1S/C11H14O3S/c1-3-14-10(12)11(13-2)15-9-7-5-4-6-8-9/h4-8,11H,3H2,1-2H3
InChIKeyZVGDXOPNAJGYIM-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.31
Rot. Bonds5

About ethyl 2-methoxy-2-phenylsulfanylacetate

ethyl 2-methoxy-2-phenylsulfanylacetate (PubChem CID 15710955) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is ethyl 2-methoxy-2-phenylsulfanylacetate.

Molecular Properties

Compound Nameethyl 2-methoxy-2-phenylsulfanylacetate
PubChem CID15710955
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Nameethyl 2-methoxy-2-phenylsulfanylacetate
SMILESCCOC(=O)C(OC)Sc1ccccc1
InChIInChI=1S/C11H14O3S/c1-3-14-10(12)11(13-2)15-9-7-5-4-6-8-9/h4-8,11H,3H2,1-2H3
InChIKeyZVGDXOPNAJGYIM-UHFFFAOYSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze ethyl 2-methoxy-2-phenylsulfanylacetate 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 2-hydroxy-2-phenylsulfanylacetate
CID 101019068
ethyl 2-amino-2-phenylsulfanylacetate
CID 53443199
1-methoxy-1-phenylsulfanylpropan-2-one
CID 12617819
1-ethoxy-1-phenylsulfanylpropan-2-one
CID 12622843
ethyl (3S)-3-phenyl-3-phenylsulfanylpropanoate
CID 11748151
methyl 2-phenylsulfanylhexanoate
CID 12957041
3,3-dimethoxy-2-phenylsulfanyl-N-prop-2-enylpropanamide
CID 53350098
diethyl 2-(2-phenylsulfanylacetyl)propanedioate
CID 65143774
2-methoxy-2-phenylsulfanyl-1-(3-propoxyphenyl)ethanone
CID 67835196
ethyl 2-(2-phenylethyl)-5,5-bis(phenylsulfanyl)pentanoate
CID 15501159
ethyl 2-phenyl-2-pyridin-4-ylsulfanylacetate
CID 103822924
ethyl (2S)-2-(4-fluorophenyl)sulfanyl-2-phenylacetate
CID 95573889

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-2-phenylsulfanylacetate?
The IUPAC name of ethyl 2-methoxy-2-phenylsulfanylacetate (CID 15710955) is ethyl 2-methoxy-2-phenylsulfanylacetate.
What is the SMILES notation for ethyl 2-methoxy-2-phenylsulfanylacetate?
The canonical SMILES for ethyl 2-methoxy-2-phenylsulfanylacetate is CCOC(=O)C(OC)Sc1ccccc1.
What is the InChIKey of ethyl 2-methoxy-2-phenylsulfanylacetate?
The InChIKey is ZVGDXOPNAJGYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c1-3-14-10(12)11(13-2)15-9-7-5-4-6-8-9/h4-8,11H,3H2,1-2H3.
What are the key properties of ethyl 2-methoxy-2-phenylsulfanylacetate?
ethyl 2-methoxy-2-phenylsulfanylacetate has a molecular weight of 226.30 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-2-phenylsulfanylacetate is sourced from PubChem (CID 15710955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).