(4R,5S)-5-phenyl-4-phenylsulfanyloxolan-2-one

C16H14O2S — CID 138983338

IUPAC(4R,5S)-5-phenyl-4-phenylsulfanyloxolan-2-one
SMILESO=C1C[C@@H](Sc2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C16H14O2S/c17-15-11-14(19-13-9-5-2-6-10-13)16(18-15)12-7-3-1-4-8-12/h1-10,14,16H,11H2/t14-,16+/m1/s1
InChIKeyIRMKWNSTFZHLMU-ZBFHGGJFSA-N
MW270.35 g/mol
LogP3.84
Rot. Bonds3

About (4R,5S)-5-phenyl-4-phenylsulfanyloxolan-2-one

(4R,5S)-5-phenyl-4-phenylsulfanyloxolan-2-one (PubChem CID 138983338) has the molecular formula C16H14O2S and a molecular weight of 270.35 g/mol. Its IUPAC name is (4R,5S)-5-phenyl-4-phenylsulfanyloxolan-2-one.

Molecular Properties

Compound Name(4R,5S)-5-phenyl-4-phenylsulfanyloxolan-2-one
PubChem CID138983338
Molecular FormulaC16H14O2S
Molecular Weight270.35 g/mol
Exact Mass270.07
IUPAC Name(4R,5S)-5-phenyl-4-phenylsulfanyloxolan-2-one
SMILESO=C1C[C@@H](Sc2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C16H14O2S/c17-15-11-14(19-13-9-5-2-6-10-13)16(18-15)12-7-3-1-4-8-12/h1-10,14,16H,11H2/t14-,16+/m1/s1
InChIKeyIRMKWNSTFZHLMU-ZBFHGGJFSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5S,6S)-5-methyl-6-(4-phenylphenyl)-4-phenylsulfanyloxan-2-one
CID 16725261
2(5H)-Furanone, 4-[4-(methylthio)phenyl]-3-phenyl-
CID 11044235
(Phenylthio)acetic acid, phenylmethyl ester
CID 533037
Tetramic acid, 72
CID 91899482
Tetramic acid, 74
CID 91899483
(3E)-3-benzylidene-5-phenyloxolan-2-one
CID 12036236
Benzoic acid, p-benzylthio-, ethyl ester
CID 143543
1(3H)-Isobenzofuranone, 3-(phenylthio)-
CID 2752811
3-Benzyl-5-phenyloxolan-2-one
CID 346518
Benzyl 3-thienylacetate
CID 3016572
(3S,5R)-3-fluoro-5-phenyl-3-phenylsulfanyloxolan-2-one
CID 11748209
(3R,4R,5S)-3-(4-fluorophenyl)sulfanyl-4-hydroxy-5-phenyloxolan-2-one
CID 46930651

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-phenyl-4-phenylsulfanyloxolan-2-one?
The IUPAC name of (4R,5S)-5-phenyl-4-phenylsulfanyloxolan-2-one (CID 138983338) is (4R,5S)-5-phenyl-4-phenylsulfanyloxolan-2-one.
What is the SMILES notation for (4R,5S)-5-phenyl-4-phenylsulfanyloxolan-2-one?
The canonical SMILES for (4R,5S)-5-phenyl-4-phenylsulfanyloxolan-2-one is O=C1C[C@@H](Sc2ccccc2)[C@H](c2ccccc2)O1.
What is the InChIKey of (4R,5S)-5-phenyl-4-phenylsulfanyloxolan-2-one?
The InChIKey is IRMKWNSTFZHLMU-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H14O2S/c17-15-11-14(19-13-9-5-2-6-10-13)16(18-15)12-7-3-1-4-8-12/h1-10,14,16H,11H2/t14-,16+/m1/s1.
What are the key properties of (4R,5S)-5-phenyl-4-phenylsulfanyloxolan-2-one?
(4R,5S)-5-phenyl-4-phenylsulfanyloxolan-2-one has a molecular weight of 270.35 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-phenyl-4-phenylsulfanyloxolan-2-one is sourced from PubChem (CID 138983338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).