ethyl (3S)-3-phenyl-3-phenylsulfanylpropanoate

C17H18O2S — CID 11748151

IUPACethyl (3S)-3-phenyl-3-phenylsulfanylpropanoate
SMILESCCOC(=O)C[C@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O2S/c1-2-19-17(18)13-16(14-9-5-3-6-10-14)20-15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3/t16-/m0/s1
InChIKeyLJCYXOOMTDAKRJ-INIZCTEOSA-N
MW286.40 g/mol
LogP4.47
Rot. Bonds6

About ethyl (3S)-3-phenyl-3-phenylsulfanylpropanoate

ethyl (3S)-3-phenyl-3-phenylsulfanylpropanoate (PubChem CID 11748151) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is ethyl (3S)-3-phenyl-3-phenylsulfanylpropanoate.

Molecular Properties

Compound Nameethyl (3S)-3-phenyl-3-phenylsulfanylpropanoate
PubChem CID11748151
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Nameethyl (3S)-3-phenyl-3-phenylsulfanylpropanoate
SMILESCCOC(=O)C[C@H](Sc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18O2S/c1-2-19-17(18)13-16(14-9-5-3-6-10-14)20-15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3/t16-/m0/s1
InChIKeyLJCYXOOMTDAKRJ-INIZCTEOSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl (3S)-3-phenyl-3-phenylsulfanylpropanoate 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 3-ethylsulfanyl-3-phenylpropanoate
CID 12663216
ethyl 3-acetylsulfanyl-3-phenylpropanoate
CID 134294474
(3S)-3-phenyl-3-phenylsulfanylpropanoic acid
CID 3246038
1,1,1,3,3,3-hexafluoropropan-2-yl (3S)-3-phenyl-3-phenylsulfanylpropanoate
CID 102440575
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
ethyl 2-hydroxy-2-phenylsulfanylacetate
CID 101019068
ethyl 2-amino-2-phenylsulfanylacetate
CID 53443199
3-phenyl-N-phenylmethoxy-3-phenylsulfanylpropanamide
CID 10522748
ethyl 4-fluoro-3-phenylbutanoate
CID 121436006
ethyl 2-methoxy-2-phenylsulfanylacetate
CID 15710955
ethyl 2-acetyl-5-(4-ethoxyphenyl)-5-phenylsulfanylpentanoate
CID 57478250
4-(4-hydroxyphenyl)sulfanyl-4-phenylbutan-2-one
CID 139679363

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-phenyl-3-phenylsulfanylpropanoate?
The IUPAC name of ethyl (3S)-3-phenyl-3-phenylsulfanylpropanoate (CID 11748151) is ethyl (3S)-3-phenyl-3-phenylsulfanylpropanoate.
What is the SMILES notation for ethyl (3S)-3-phenyl-3-phenylsulfanylpropanoate?
The canonical SMILES for ethyl (3S)-3-phenyl-3-phenylsulfanylpropanoate is CCOC(=O)C[C@H](Sc1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (3S)-3-phenyl-3-phenylsulfanylpropanoate?
The InChIKey is LJCYXOOMTDAKRJ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18O2S/c1-2-19-17(18)13-16(14-9-5-3-6-10-14)20-15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3/t16-/m0/s1.
What are the key properties of ethyl (3S)-3-phenyl-3-phenylsulfanylpropanoate?
ethyl (3S)-3-phenyl-3-phenylsulfanylpropanoate has a molecular weight of 286.40 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-phenyl-3-phenylsulfanylpropanoate is sourced from PubChem (CID 11748151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).