triphenyl phosphite sulfite

C18H15O6PS-2 — CID 22067374

IUPACtriphenyl phosphite sulfite
SMILESO=S([O-])[O-].c1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C18H15O3P.H2O3S/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;1-4(2)3/h1-15H;(H2,1,2,3)/p-2
InChIKeyCLWJQAVHQBWUGC-UHFFFAOYSA-L
MW390.35 g/mol
LogP4.45
Rot. Bonds6

About triphenyl phosphite sulfite

triphenyl phosphite sulfite (PubChem CID 22067374) has the molecular formula C18H15O6PS-2 and a molecular weight of 390.35 g/mol. Its IUPAC name is triphenyl phosphite sulfite.

Molecular Properties

Compound Nametriphenyl phosphite sulfite
PubChem CID22067374
Molecular FormulaC18H15O6PS-2
Molecular Weight390.35 g/mol
Exact Mass390.03
IUPAC Nametriphenyl phosphite sulfite
SMILESO=S([O-])[O-].c1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C18H15O3P.H2O3S/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;1-4(2)3/h1-15H;(H2,1,2,3)/p-2
InChIKeyCLWJQAVHQBWUGC-UHFFFAOYSA-L
XLogP4.45
TPSA90.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.35
LogP ≤ 54.45
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

tri(113C)cyclohexatrienyl phosphite
CID 101432390
triphenyl phosphite
CID 7540
nickel(2+);nitroxyl anion;bis(triphenyl phosphite);bromide
CID 173453911
carbon monoxide;manganese;bis(triphenyl phosphite)
CID 135047588
diphenoxyphosphanyloxymethyl diphenyl phosphite
CID 171611986
disodium;anisole;sulfite
CID 158776652
bis(4-formylphenyl) phenyl phosphite
CID 146390093
(4-diphenoxyphosphanyloxyphenyl) diphenyl phosphate
CID 126496961
nickel(2+);nitroxyl anion;bis(triphenyl phosphite);isothiocyanate
CID 173453712
phenyl sulfite
CID 14972829
potassium phenyl sulfite
CID 162337240
ethane;methyl diphenyl phosphite
CID 161074644

Frequently Asked Questions

What is the IUPAC name of triphenyl phosphite sulfite?
The IUPAC name of triphenyl phosphite sulfite (CID 22067374) is triphenyl phosphite sulfite.
What is the SMILES notation for triphenyl phosphite sulfite?
The canonical SMILES for triphenyl phosphite sulfite is O=S([O-])[O-].c1ccc(OP(Oc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of triphenyl phosphite sulfite?
The InChIKey is CLWJQAVHQBWUGC-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H15O3P.H2O3S/c1-4-10-16(11-5-1)19-22(20-17-12-6-2-7-13-17)21-18-14-8-3-9-15-18;1-4(2)3/h1-15H;(H2,1,2,3)/p-2.
What are the key properties of triphenyl phosphite sulfite?
triphenyl phosphite sulfite has a molecular weight of 390.35 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl phosphite sulfite is sourced from PubChem (CID 22067374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).