lithium 5-diphenylphosphanylfuran-2-sulfinate

C16H12LiO3PS — CID 10829650

IUPAClithium 5-diphenylphosphanylfuran-2-sulfinate
SMILESO=S([O-])c1ccc(P(c2ccccc2)c2ccccc2)o1.[Li+]
InChIInChI=1S/C16H13O3PS.Li/c17-21(18)16-12-11-15(19-16)20(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-12H,(H,17,18);/q;+1/p-1
InChIKeyUNAGFLROBWEEBI-UHFFFAOYSA-M
MW322.25 g/mol
LogP-0.72
Rot. Bonds4

About lithium 5-diphenylphosphanylfuran-2-sulfinate

lithium 5-diphenylphosphanylfuran-2-sulfinate (PubChem CID 10829650) has the molecular formula C16H12LiO3PS and a molecular weight of 322.25 g/mol. Its IUPAC name is lithium 5-diphenylphosphanylfuran-2-sulfinate.

Molecular Properties

Compound Namelithium 5-diphenylphosphanylfuran-2-sulfinate
PubChem CID10829650
Molecular FormulaC16H12LiO3PS
Molecular Weight322.25 g/mol
Exact Mass322.04
IUPAC Namelithium 5-diphenylphosphanylfuran-2-sulfinate
SMILESO=S([O-])c1ccc(P(c2ccccc2)c2ccccc2)o1.[Li+]
InChIInChI=1S/C16H13O3PS.Li/c17-21(18)16-12-11-15(19-16)20(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-12H,(H,17,18);/q;+1/p-1
InChIKeyUNAGFLROBWEEBI-UHFFFAOYSA-M
XLogP-0.72
TPSA53.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[phenyl-(5-sulfinatofuran-2-yl)phosphanyl]furan-2-sulfinate
CID 10523935
(5-diphenylphosphanylfuran-2-yl)-diphenylphosphane
CID 634863
5-diphenylphosphanylfuran-2-sulfonic acid
CID 142652032
sodium;triphenylphosphane;sulfite
CID 71533578
CID 87948921
CID 87948921
triphenylphosphane
CID 139056248
4-diphenylphosphanylbenzenesulfinic acid
CID 164930130
chlorosilver;triphenylphosphane
CID 12824775
chlorogold;triphenylphosphane
CID 10874691
carbonyl dichloride;bis(triphenylphosphane)
CID 87775041
chlororuthenium(1+);formaldehyde;tris(triphenylphosphane)
CID 21268968
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134

Frequently Asked Questions

What is the IUPAC name of lithium 5-diphenylphosphanylfuran-2-sulfinate?
The IUPAC name of lithium 5-diphenylphosphanylfuran-2-sulfinate (CID 10829650) is lithium 5-diphenylphosphanylfuran-2-sulfinate.
What is the SMILES notation for lithium 5-diphenylphosphanylfuran-2-sulfinate?
The canonical SMILES for lithium 5-diphenylphosphanylfuran-2-sulfinate is O=S([O-])c1ccc(P(c2ccccc2)c2ccccc2)o1.[Li+].
What is the InChIKey of lithium 5-diphenylphosphanylfuran-2-sulfinate?
The InChIKey is UNAGFLROBWEEBI-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H13O3PS.Li/c17-21(18)16-12-11-15(19-16)20(13-7-3-1-4-8-13)14-9-5-2-6-10-14;/h1-12H,(H,17,18);/q;+1/p-1.
What are the key properties of lithium 5-diphenylphosphanylfuran-2-sulfinate?
lithium 5-diphenylphosphanylfuran-2-sulfinate has a molecular weight of 322.25 g/mol, XLogP of -0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-diphenylphosphanylfuran-2-sulfinate is sourced from PubChem (CID 10829650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).