(5S,6R)-5,6-diphenyl-1,4-oxathian-2-one

C16H14O2S — CID 15665870

IUPAC(5S,6R)-5,6-diphenyl-1,4-oxathian-2-one
SMILESO=C1CS[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C16H14O2S/c17-14-11-19-16(13-9-5-2-6-10-13)15(18-14)12-7-3-1-4-8-12/h1-10,15-16H,11H2/t15-,16+/m1/s1
InChIKeyJKEZLLXHTTXZLW-CVEARBPZSA-N
MW270.35 g/mol
LogP3.76
Rot. Bonds2

About (5S,6R)-5,6-diphenyl-1,4-oxathian-2-one

(5S,6R)-5,6-diphenyl-1,4-oxathian-2-one (PubChem CID 15665870) has the molecular formula C16H14O2S and a molecular weight of 270.35 g/mol. Its IUPAC name is (5S,6R)-5,6-diphenyl-1,4-oxathian-2-one.

Molecular Properties

Compound Name(5S,6R)-5,6-diphenyl-1,4-oxathian-2-one
PubChem CID15665870
Molecular FormulaC16H14O2S
Molecular Weight270.35 g/mol
Exact Mass270.07
IUPAC Name(5S,6R)-5,6-diphenyl-1,4-oxathian-2-one
SMILESO=C1CS[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C16H14O2S/c17-14-11-19-16(13-9-5-2-6-10-13)15(18-14)12-7-3-1-4-8-12/h1-10,15-16H,11H2/t15-,16+/m1/s1
InChIKeyJKEZLLXHTTXZLW-CVEARBPZSA-N
XLogP3.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5,6-diphenyl-1,4-oxathian-2-one?
The IUPAC name of (5S,6R)-5,6-diphenyl-1,4-oxathian-2-one (CID 15665870) is (5S,6R)-5,6-diphenyl-1,4-oxathian-2-one.
What is the SMILES notation for (5S,6R)-5,6-diphenyl-1,4-oxathian-2-one?
The canonical SMILES for (5S,6R)-5,6-diphenyl-1,4-oxathian-2-one is O=C1CS[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1.
What is the InChIKey of (5S,6R)-5,6-diphenyl-1,4-oxathian-2-one?
The InChIKey is JKEZLLXHTTXZLW-CVEARBPZSA-N. The full InChI is InChI=1S/C16H14O2S/c17-14-11-19-16(13-9-5-2-6-10-13)15(18-14)12-7-3-1-4-8-12/h1-10,15-16H,11H2/t15-,16+/m1/s1.
What are the key properties of (5S,6R)-5,6-diphenyl-1,4-oxathian-2-one?
(5S,6R)-5,6-diphenyl-1,4-oxathian-2-one has a molecular weight of 270.35 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5,6-diphenyl-1,4-oxathian-2-one is sourced from PubChem (CID 15665870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).