potassium;hydride;2-nitrobenzenesulfinic acid

C6H6KNO4S — CID 173256156

IUPACpotassium;hydride;2-nitrobenzenesulfinic acid
SMILESO=[N+]([O-])c1ccccc1S(=O)O.[H-].[K+]
InChIInChI=1S/C6H5NO4S.K.H/c8-7(9)5-3-1-2-4-6(5)12(10)11;;/h1-4H,(H,10,11);;/q;+1;-1
InChIKeyHYSDWBHZJIMJKP-UHFFFAOYSA-N
MW227.28 g/mol
LogP-1.71
Rot. Bonds2

About potassium;hydride;2-nitrobenzenesulfinic acid

potassium;hydride;2-nitrobenzenesulfinic acid (PubChem CID 173256156) has the molecular formula C6H6KNO4S and a molecular weight of 227.28 g/mol. Its IUPAC name is potassium;hydride;2-nitrobenzenesulfinic acid.

Molecular Properties

Compound Namepotassium;hydride;2-nitrobenzenesulfinic acid
PubChem CID173256156
Molecular FormulaC6H6KNO4S
Molecular Weight227.28 g/mol
Exact Mass226.97
IUPAC Namepotassium;hydride;2-nitrobenzenesulfinic acid
SMILESO=[N+]([O-])c1ccccc1S(=O)O.[H-].[K+]
InChIInChI=1S/C6H5NO4S.K.H/c8-7(9)5-3-1-2-4-6(5)12(10)11;;/h1-4H,(H,10,11);;/q;+1;-1
InChIKeyHYSDWBHZJIMJKP-UHFFFAOYSA-N
XLogP-1.71
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 5-1.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;2-nitrobenzenesulfinic acid
CID 132648001
1-[(R)-chloromethylsulfinyl]-2-nitrobenzene
CID 139084527
3-methyl-2-(2-nitrophenyl)sulfinylbutanoic acid
CID 61302764
benzene-1,2-disulfinic acid
CID 19813698
3-amino-2-(2-nitrophenyl)sulfinylpropanoic acid
CID 64694034
disodium;hydride;2-nitrophenol
CID 174745512
4-(2-nitrophenyl)sulfinylbutanoic acid
CID 61303159
2-(2-nitrophenyl)benzenesulfinate
CID 67258101
4-cyano-2-nitrobenzenesulfinic acid
CID 165449916
azanide;1,2-dinitrobenzene;platinum
CID 158959684
phenyl 2-(2-nitrophenyl)sulfinylacetate
CID 698063
tert-butyl N-(2-nitrophenyl)sulfinylcarbamate
CID 71368420

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;2-nitrobenzenesulfinic acid?
The IUPAC name of potassium;hydride;2-nitrobenzenesulfinic acid (CID 173256156) is potassium;hydride;2-nitrobenzenesulfinic acid.
What is the SMILES notation for potassium;hydride;2-nitrobenzenesulfinic acid?
The canonical SMILES for potassium;hydride;2-nitrobenzenesulfinic acid is O=[N+]([O-])c1ccccc1S(=O)O.[H-].[K+].
What is the InChIKey of potassium;hydride;2-nitrobenzenesulfinic acid?
The InChIKey is HYSDWBHZJIMJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO4S.K.H/c8-7(9)5-3-1-2-4-6(5)12(10)11;;/h1-4H,(H,10,11);;/q;+1;-1.
What are the key properties of potassium;hydride;2-nitrobenzenesulfinic acid?
potassium;hydride;2-nitrobenzenesulfinic acid has a molecular weight of 227.28 g/mol, XLogP of -1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;2-nitrobenzenesulfinic acid is sourced from PubChem (CID 173256156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).