potassium phenyl sulfite

C6H5KO3S — CID 162337240

IUPACpotassium phenyl sulfite
SMILESO=S([O-])Oc1ccccc1.[K+]
InChIInChI=1S/C6H6O3S.K/c7-10(8)9-6-4-2-1-3-5-6;/h1-5H,(H,7,8);/q;+1/p-1
InChIKeyUEFXPKURZHRPCZ-UHFFFAOYSA-M
MW196.27 g/mol
LogP-2.14
Rot. Bonds2

About potassium phenyl sulfite

potassium phenyl sulfite (PubChem CID 162337240) has the molecular formula C6H5KO3S and a molecular weight of 196.27 g/mol. Its IUPAC name is potassium phenyl sulfite.

Molecular Properties

Compound Namepotassium phenyl sulfite
PubChem CID162337240
Molecular FormulaC6H5KO3S
Molecular Weight196.27 g/mol
Exact Mass195.96
IUPAC Namepotassium phenyl sulfite
SMILESO=S([O-])Oc1ccccc1.[K+]
InChIInChI=1S/C6H6O3S.K/c7-10(8)9-6-4-2-1-3-5-6;/h1-5H,(H,7,8);/q;+1/p-1
InChIKeyUEFXPKURZHRPCZ-UHFFFAOYSA-M
XLogP-2.14
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 5-2.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl sulfite
CID 14972829
sodium phenyl sulfite
CID 68748465
sodium;azane;hydride;phenyl sulfite
CID 174915825
(4-hydroxyphenyl) sulfite
CID 22003406
naphthalen-2-yl sulfite;nickel
CID 175470148
sodium (4-methoxyphenyl) sulfite
CID 175083766
potassium azulen-1-yl sulfite
CID 174713205
[4-(trifluoromethoxy)phenyl] sulfite
CID 68538946
triphenyl phosphite sulfite
CID 22067374
disodium;anisole;sulfite
CID 158776652
sodium;hydride;phenyl hydrogen sulfite
CID 174520847
3-[phenyl-(3-sulfinatooxyphenyl)phosphanyl]benzenesulfonate
CID 22897883

Frequently Asked Questions

What is the IUPAC name of potassium phenyl sulfite?
The IUPAC name of potassium phenyl sulfite (CID 162337240) is potassium phenyl sulfite.
What is the SMILES notation for potassium phenyl sulfite?
The canonical SMILES for potassium phenyl sulfite is O=S([O-])Oc1ccccc1.[K+].
What is the InChIKey of potassium phenyl sulfite?
The InChIKey is UEFXPKURZHRPCZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O3S.K/c7-10(8)9-6-4-2-1-3-5-6;/h1-5H,(H,7,8);/q;+1/p-1.
What are the key properties of potassium phenyl sulfite?
potassium phenyl sulfite has a molecular weight of 196.27 g/mol, XLogP of -2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium phenyl sulfite is sourced from PubChem (CID 162337240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).