5-[phenyl-(5-sulfinatofuran-2-yl)phosphanyl]furan-2-sulfinate

C14H9O6PS2-2 — CID 10523935

IUPAC5-[phenyl-(5-sulfinatofuran-2-yl)phosphanyl]furan-2-sulfinate
SMILESO=S([O-])c1ccc(P(c2ccccc2)c2ccc(S(=O)[O-])o2)o1
InChIInChI=1S/C14H11O6PS2/c15-22(16)13-8-6-11(19-13)21(10-4-2-1-3-5-10)12-7-9-14(20-12)23(17)18/h1-9H,(H,15,16)(H,17,18)/p-2
InChIKeyHFMFZIFQUMPPFF-UHFFFAOYSA-L
MW368.33 g/mol
LogP1.11
Rot. Bonds5

About 5-[phenyl-(5-sulfinatofuran-2-yl)phosphanyl]furan-2-sulfinate

5-[phenyl-(5-sulfinatofuran-2-yl)phosphanyl]furan-2-sulfinate (PubChem CID 10523935) has the molecular formula C14H9O6PS2-2 and a molecular weight of 368.33 g/mol. Its IUPAC name is 5-[phenyl-(5-sulfinatofuran-2-yl)phosphanyl]furan-2-sulfinate.

Molecular Properties

Compound Name5-[phenyl-(5-sulfinatofuran-2-yl)phosphanyl]furan-2-sulfinate
PubChem CID10523935
Molecular FormulaC14H9O6PS2-2
Molecular Weight368.33 g/mol
Exact Mass367.96
IUPAC Name5-[phenyl-(5-sulfinatofuran-2-yl)phosphanyl]furan-2-sulfinate
SMILESO=S([O-])c1ccc(P(c2ccccc2)c2ccc(S(=O)[O-])o2)o1
InChIInChI=1S/C14H11O6PS2/c15-22(16)13-8-6-11(19-13)21(10-4-2-1-3-5-10)12-7-9-14(20-12)23(17)18/h1-9H,(H,15,16)(H,17,18)/p-2
InChIKeyHFMFZIFQUMPPFF-UHFFFAOYSA-L
XLogP1.11
TPSA106.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

lithium 5-diphenylphosphanylfuran-2-sulfinate
CID 10829650
(5-diphenylphosphanylfuran-2-yl)-diphenylphosphane
CID 634863
sodium;triphenylphosphane;sulfite
CID 71533578
CID 87948921
CID 87948921
5-diphenylphosphanylfuran-2-sulfonic acid
CID 142652032
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 5-[phenyl-(5-sulfinatofuran-2-yl)phosphanyl]furan-2-sulfinate?
The IUPAC name of 5-[phenyl-(5-sulfinatofuran-2-yl)phosphanyl]furan-2-sulfinate (CID 10523935) is 5-[phenyl-(5-sulfinatofuran-2-yl)phosphanyl]furan-2-sulfinate.
What is the SMILES notation for 5-[phenyl-(5-sulfinatofuran-2-yl)phosphanyl]furan-2-sulfinate?
The canonical SMILES for 5-[phenyl-(5-sulfinatofuran-2-yl)phosphanyl]furan-2-sulfinate is O=S([O-])c1ccc(P(c2ccccc2)c2ccc(S(=O)[O-])o2)o1.
What is the InChIKey of 5-[phenyl-(5-sulfinatofuran-2-yl)phosphanyl]furan-2-sulfinate?
The InChIKey is HFMFZIFQUMPPFF-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H11O6PS2/c15-22(16)13-8-6-11(19-13)21(10-4-2-1-3-5-10)12-7-9-14(20-12)23(17)18/h1-9H,(H,15,16)(H,17,18)/p-2.
What are the key properties of 5-[phenyl-(5-sulfinatofuran-2-yl)phosphanyl]furan-2-sulfinate?
5-[phenyl-(5-sulfinatofuran-2-yl)phosphanyl]furan-2-sulfinate has a molecular weight of 368.33 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[phenyl-(5-sulfinatofuran-2-yl)phosphanyl]furan-2-sulfinate is sourced from PubChem (CID 10523935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).