(2S,4R,6R)-2-chloro-4,6-diphenyl-1,3,2λ5-oxathiaphosphinane 2-oxide

C15H14ClO2PS — CID 169013341

IUPAC(2S,4R,6R)-2-chloro-4,6-diphenyl-1,3,2λ5-oxathiaphosphinane 2-oxide
SMILESO=[P@]1(Cl)O[C@@H](c2ccccc2)C[C@H](c2ccccc2)S1
InChIInChI=1S/C15H14ClO2PS/c16-19(17)18-14(12-7-3-1-4-8-12)11-15(20-19)13-9-5-2-6-10-13/h1-10,14-15H,11H2/t14-,15-,19-/m1/s1
InChIKeyILNHTFFPVOCFKG-SPYBWZPUSA-N
MW324.77 g/mol
LogP5.97
Rot. Bonds2

About (2S,4R,6R)-2-chloro-4,6-diphenyl-1,3,2λ5-oxathiaphosphinane 2-oxide

(2S,4R,6R)-2-chloro-4,6-diphenyl-1,3,2λ5-oxathiaphosphinane 2-oxide (PubChem CID 169013341) has the molecular formula C15H14ClO2PS and a molecular weight of 324.77 g/mol. Its IUPAC name is (2S,4R,6R)-2-chloro-4,6-diphenyl-1,3,2λ5-oxathiaphosphinane 2-oxide.

Molecular Properties

Compound Name(2S,4R,6R)-2-chloro-4,6-diphenyl-1,3,2λ5-oxathiaphosphinane 2-oxide
PubChem CID169013341
Molecular FormulaC15H14ClO2PS
Molecular Weight324.77 g/mol
Exact Mass324.01
IUPAC Name(2S,4R,6R)-2-chloro-4,6-diphenyl-1,3,2λ5-oxathiaphosphinane 2-oxide
SMILESO=[P@]1(Cl)O[C@@H](c2ccccc2)C[C@H](c2ccccc2)S1
InChIInChI=1S/C15H14ClO2PS/c16-19(17)18-14(12-7-3-1-4-8-12)11-15(20-19)13-9-5-2-6-10-13/h1-10,14-15H,11H2/t14-,15-,19-/m1/s1
InChIKeyILNHTFFPVOCFKG-SPYBWZPUSA-N
XLogP5.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.77
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,6R)-2-chloro-4,6-diphenyl-1,3,2λ5-oxathiaphosphinane 2-oxide?
The IUPAC name of (2S,4R,6R)-2-chloro-4,6-diphenyl-1,3,2λ5-oxathiaphosphinane 2-oxide (CID 169013341) is (2S,4R,6R)-2-chloro-4,6-diphenyl-1,3,2λ5-oxathiaphosphinane 2-oxide.
What is the SMILES notation for (2S,4R,6R)-2-chloro-4,6-diphenyl-1,3,2λ5-oxathiaphosphinane 2-oxide?
The canonical SMILES for (2S,4R,6R)-2-chloro-4,6-diphenyl-1,3,2λ5-oxathiaphosphinane 2-oxide is O=[P@]1(Cl)O[C@@H](c2ccccc2)C[C@H](c2ccccc2)S1.
What is the InChIKey of (2S,4R,6R)-2-chloro-4,6-diphenyl-1,3,2λ5-oxathiaphosphinane 2-oxide?
The InChIKey is ILNHTFFPVOCFKG-SPYBWZPUSA-N. The full InChI is InChI=1S/C15H14ClO2PS/c16-19(17)18-14(12-7-3-1-4-8-12)11-15(20-19)13-9-5-2-6-10-13/h1-10,14-15H,11H2/t14-,15-,19-/m1/s1.
What are the key properties of (2S,4R,6R)-2-chloro-4,6-diphenyl-1,3,2λ5-oxathiaphosphinane 2-oxide?
(2S,4R,6R)-2-chloro-4,6-diphenyl-1,3,2λ5-oxathiaphosphinane 2-oxide has a molecular weight of 324.77 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6R)-2-chloro-4,6-diphenyl-1,3,2λ5-oxathiaphosphinane 2-oxide is sourced from PubChem (CID 169013341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).