sodium phenyl sulfite

C6H5NaO3S — CID 68748465

IUPACsodium phenyl sulfite
SMILESO=S([O-])Oc1ccccc1.[Na+]
InChIInChI=1S/C6H6O3S.Na/c7-10(8)9-6-4-2-1-3-5-6;/h1-5H,(H,7,8);/q;+1/p-1
InChIKeyJKJBSJRAHLJQHP-UHFFFAOYSA-M
MW180.16 g/mol
LogP-2.14
Rot. Bonds2

About sodium phenyl sulfite

sodium phenyl sulfite (PubChem CID 68748465) has the molecular formula C6H5NaO3S and a molecular weight of 180.16 g/mol. Its IUPAC name is sodium phenyl sulfite.

Molecular Properties

Compound Namesodium phenyl sulfite
PubChem CID68748465
Molecular FormulaC6H5NaO3S
Molecular Weight180.16 g/mol
Exact Mass179.99
IUPAC Namesodium phenyl sulfite
SMILESO=S([O-])Oc1ccccc1.[Na+]
InChIInChI=1S/C6H6O3S.Na/c7-10(8)9-6-4-2-1-3-5-6;/h1-5H,(H,7,8);/q;+1/p-1
InChIKeyJKJBSJRAHLJQHP-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 ≤ 500180.16
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;azane;hydride;phenyl sulfite
CID 174915825
potassium phenyl sulfite
CID 162337240
sodium (4-methoxyphenyl) sulfite
CID 175083766
disodium;anisole;sulfite
CID 158776652
(4-hydroxyphenyl) sulfite
CID 22003406
sodium;hydride;phenyl hydrogen sulfite
CID 174520847
naphthalen-2-yl sulfite;nickel
CID 175470148
sodium;hydride;phenyl aminomethanesulfinate
CID 174802151
[4-(trifluoromethoxy)phenyl] sulfite
CID 68538946
sodium;hydride;phenyl 2-methylpropane-2-sulfinate
CID 174955645
sodium (2-aminophenyl) sulfite
CID 156780353

Frequently Asked Questions

What is the IUPAC name of sodium phenyl sulfite?
The IUPAC name of sodium phenyl sulfite (CID 68748465) is sodium phenyl sulfite.
What is the SMILES notation for sodium phenyl sulfite?
The canonical SMILES for sodium phenyl sulfite is O=S([O-])Oc1ccccc1.[Na+].
What is the InChIKey of sodium phenyl sulfite?
The InChIKey is JKJBSJRAHLJQHP-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O3S.Na/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 sodium phenyl sulfite?
sodium phenyl sulfite has a molecular weight of 180.16 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 sodium phenyl sulfite is sourced from PubChem (CID 68748465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).