sodium;triphenylphosphane;sulfite

C18H15NaO3PS- — CID 71533578

IUPACsodium;triphenylphosphane;sulfite
SMILESO=S([O-])[O-].[Na+].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.Na.H2O3S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;1-4(2)3/h1-15H;;(H2,1,2,3)/q;+1;/p-2
InChIKeyAHHRGYRUACXPAN-UHFFFAOYSA-L
MW365.35 g/mol
LogP-0.56
Rot. Bonds3

About sodium;triphenylphosphane;sulfite

sodium;triphenylphosphane;sulfite (PubChem CID 71533578) has the molecular formula C18H15NaO3PS- and a molecular weight of 365.35 g/mol. Its IUPAC name is sodium;triphenylphosphane;sulfite.

Molecular Properties

Compound Namesodium;triphenylphosphane;sulfite
PubChem CID71533578
Molecular FormulaC18H15NaO3PS-
Molecular Weight365.35 g/mol
Exact Mass365.04
IUPAC Namesodium;triphenylphosphane;sulfite
SMILESO=S([O-])[O-].[Na+].c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.Na.H2O3S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;1-4(2)3/h1-15H;;(H2,1,2,3)/q;+1;/p-2
InChIKeyAHHRGYRUACXPAN-UHFFFAOYSA-L
XLogP-0.56
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 5-0.56
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

CID 87948921
CID 87948921
triphenylphosphane
CID 139056248
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);hydrobromide
CID 172722268
tris(triphenylphosphane);trihydrochloride
CID 173282987
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
triphenylphosphane;octahydrochloride
CID 172751742
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134

Frequently Asked Questions

What is the IUPAC name of sodium;triphenylphosphane;sulfite?
The IUPAC name of sodium;triphenylphosphane;sulfite (CID 71533578) is sodium;triphenylphosphane;sulfite.
What is the SMILES notation for sodium;triphenylphosphane;sulfite?
The canonical SMILES for sodium;triphenylphosphane;sulfite is O=S([O-])[O-].[Na+].c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of sodium;triphenylphosphane;sulfite?
The InChIKey is AHHRGYRUACXPAN-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H15P.Na.H2O3S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;1-4(2)3/h1-15H;;(H2,1,2,3)/q;+1;/p-2.
What are the key properties of sodium;triphenylphosphane;sulfite?
sodium;triphenylphosphane;sulfite has a molecular weight of 365.35 g/mol, XLogP of -0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;triphenylphosphane;sulfite is sourced from PubChem (CID 71533578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).