benzene;phenyl propane-2-sulfinate;yttrium(3+)

C15H16O2SY+ — CID 20675742

IUPACbenzene;phenyl propane-2-sulfinate;yttrium(3+)
SMILESC[C-](C)S(=O)Oc1ccccc1.[Y+3].[c-]1ccccc1
InChIInChI=1S/C9H11O2S.C6H5.Y/c1-8(2)12(10)11-9-6-4-3-5-7-9;1-2-4-6-5-3-1;/h3-7H,1-2H3;1-5H;/q2*-1;+3
InChIKeyJLKNYLFGTZMUEZ-UHFFFAOYSA-N
MW349.26 g/mol
LogP3.79
Rot. Bonds3

About benzene;phenyl propane-2-sulfinate;yttrium(3+)

benzene;phenyl propane-2-sulfinate;yttrium(3+) (PubChem CID 20675742) has the molecular formula C15H16O2SY+ and a molecular weight of 349.26 g/mol. Its IUPAC name is benzene;phenyl propane-2-sulfinate;yttrium(3+).

Molecular Properties

Compound Namebenzene;phenyl propane-2-sulfinate;yttrium(3+)
PubChem CID20675742
Molecular FormulaC15H16O2SY+
Molecular Weight349.26 g/mol
Exact Mass348.99
IUPAC Namebenzene;phenyl propane-2-sulfinate;yttrium(3+)
SMILESC[C-](C)S(=O)Oc1ccccc1.[Y+3].[c-]1ccccc1
InChIInChI=1S/C9H11O2S.C6H5.Y/c1-8(2)12(10)11-9-6-4-3-5-7-9;1-2-4-6-5-3-1;/h3-7H,1-2H3;1-5H;/q2*-1;+3
InChIKeyJLKNYLFGTZMUEZ-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzene;phenyl propane-2-sulfinate;yttrium(3+)?
The IUPAC name of benzene;phenyl propane-2-sulfinate;yttrium(3+) (CID 20675742) is benzene;phenyl propane-2-sulfinate;yttrium(3+).
What is the SMILES notation for benzene;phenyl propane-2-sulfinate;yttrium(3+)?
The canonical SMILES for benzene;phenyl propane-2-sulfinate;yttrium(3+) is C[C-](C)S(=O)Oc1ccccc1.[Y+3].[c-]1ccccc1.
What is the InChIKey of benzene;phenyl propane-2-sulfinate;yttrium(3+)?
The InChIKey is JLKNYLFGTZMUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2S.C6H5.Y/c1-8(2)12(10)11-9-6-4-3-5-7-9;1-2-4-6-5-3-1;/h3-7H,1-2H3;1-5H;/q2*-1;+3.
What are the key properties of benzene;phenyl propane-2-sulfinate;yttrium(3+)?
benzene;phenyl propane-2-sulfinate;yttrium(3+) has a molecular weight of 349.26 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;phenyl propane-2-sulfinate;yttrium(3+) is sourced from PubChem (CID 20675742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).