ethyl 2-phenyl-2-phenylsulfanylacetate

C16H16O2S — CID 5149189

IUPACethyl 2-phenyl-2-phenylsulfanylacetate
SMILESCCOC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O2S/c1-2-18-16(17)15(13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
InChIKeyWVGQWIQGPZLGRG-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.08
Rot. Bonds5

About ethyl 2-phenyl-2-phenylsulfanylacetate

ethyl 2-phenyl-2-phenylsulfanylacetate (PubChem CID 5149189) has the molecular formula C16H16O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is ethyl 2-phenyl-2-phenylsulfanylacetate.

Molecular Properties

Compound Nameethyl 2-phenyl-2-phenylsulfanylacetate
PubChem CID5149189
Molecular FormulaC16H16O2S
Molecular Weight272.37 g/mol
Exact Mass272.09
IUPAC Nameethyl 2-phenyl-2-phenylsulfanylacetate
SMILESCCOC(=O)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O2S/c1-2-18-16(17)15(13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
InChIKeyWVGQWIQGPZLGRG-UHFFFAOYSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-2-phenylsulfanylacetate?
The IUPAC name of ethyl 2-phenyl-2-phenylsulfanylacetate (CID 5149189) is ethyl 2-phenyl-2-phenylsulfanylacetate.
What is the SMILES notation for ethyl 2-phenyl-2-phenylsulfanylacetate?
The canonical SMILES for ethyl 2-phenyl-2-phenylsulfanylacetate is CCOC(=O)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-phenyl-2-phenylsulfanylacetate?
The InChIKey is WVGQWIQGPZLGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S/c1-2-18-16(17)15(13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12,15H,2H2,1H3.
What are the key properties of ethyl 2-phenyl-2-phenylsulfanylacetate?
ethyl 2-phenyl-2-phenylsulfanylacetate has a molecular weight of 272.37 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-2-phenylsulfanylacetate is sourced from PubChem (CID 5149189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).