dipotassium;bis(1-phenylpyrazolidin-3-one);sulfite

C18H20K2N4O5S — CID 70251505

IUPACdipotassium;bis(1-phenylpyrazolidin-3-one);sulfite
SMILESO=C1CCN(c2ccccc2)N1.O=C1CCN(c2ccccc2)N1.O=S([O-])[O-].[K+].[K+]
InChIInChI=1S/2C9H10N2O.2K.H2O3S/c2*12-9-6-7-11(10-9)8-4-2-1-3-5-8;;;1-4(2)3/h2*1-5H,6-7H2,(H,10,12);;;(H2,1,2,3)/q;;2*+1;/p-2
InChIKeySILGSQCDVNGQMF-UHFFFAOYSA-L
MW482.64 g/mol
LogP-5.14
Rot. Bonds2

About dipotassium;bis(1-phenylpyrazolidin-3-one);sulfite

dipotassium;bis(1-phenylpyrazolidin-3-one);sulfite (PubChem CID 70251505) has the molecular formula C18H20K2N4O5S and a molecular weight of 482.64 g/mol. Its IUPAC name is dipotassium;bis(1-phenylpyrazolidin-3-one);sulfite.

Molecular Properties

Compound Namedipotassium;bis(1-phenylpyrazolidin-3-one);sulfite
PubChem CID70251505
Molecular FormulaC18H20K2N4O5S
Molecular Weight482.64 g/mol
Exact Mass482.04
IUPAC Namedipotassium;bis(1-phenylpyrazolidin-3-one);sulfite
SMILESO=C1CCN(c2ccccc2)N1.O=C1CCN(c2ccccc2)N1.O=S([O-])[O-].[K+].[K+]
InChIInChI=1S/2C9H10N2O.2K.H2O3S/c2*12-9-6-7-11(10-9)8-4-2-1-3-5-8;;;1-4(2)3/h2*1-5H,6-7H2,(H,10,12);;;(H2,1,2,3)/q;;2*+1;/p-2
InChIKeySILGSQCDVNGQMF-UHFFFAOYSA-L
XLogP-5.14
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.64
LogP ≤ 5-5.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dipotassium;bis(1-phenylpyrazolidin-3-one);sulfite?
The IUPAC name of dipotassium;bis(1-phenylpyrazolidin-3-one);sulfite (CID 70251505) is dipotassium;bis(1-phenylpyrazolidin-3-one);sulfite.
What is the SMILES notation for dipotassium;bis(1-phenylpyrazolidin-3-one);sulfite?
The canonical SMILES for dipotassium;bis(1-phenylpyrazolidin-3-one);sulfite is O=C1CCN(c2ccccc2)N1.O=C1CCN(c2ccccc2)N1.O=S([O-])[O-].[K+].[K+].
What is the InChIKey of dipotassium;bis(1-phenylpyrazolidin-3-one);sulfite?
The InChIKey is SILGSQCDVNGQMF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H10N2O.2K.H2O3S/c2*12-9-6-7-11(10-9)8-4-2-1-3-5-8;;;1-4(2)3/h2*1-5H,6-7H2,(H,10,12);;;(H2,1,2,3)/q;;2*+1;/p-2.
What are the key properties of dipotassium;bis(1-phenylpyrazolidin-3-one);sulfite?
dipotassium;bis(1-phenylpyrazolidin-3-one);sulfite has a molecular weight of 482.64 g/mol, XLogP of -5.14, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;bis(1-phenylpyrazolidin-3-one);sulfite is sourced from PubChem (CID 70251505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).