sodium (4-methoxyphenyl) sulfite

C7H7NaO4S — CID 175083766

IUPACsodium (4-methoxyphenyl) sulfite
SMILESCOc1ccc(OS(=O)[O-])cc1.[Na+]
InChIInChI=1S/C7H8O4S.Na/c1-10-6-2-4-7(5-3-6)11-12(8)9;/h2-5H,1H3,(H,8,9);/q;+1/p-1
InChIKeyJQPLONLCLGYXPG-UHFFFAOYSA-M
MW210.19 g/mol
LogP-2.13
Rot. Bonds3

About sodium (4-methoxyphenyl) sulfite

sodium (4-methoxyphenyl) sulfite (PubChem CID 175083766) has the molecular formula C7H7NaO4S and a molecular weight of 210.19 g/mol. Its IUPAC name is sodium (4-methoxyphenyl) sulfite.

Molecular Properties

Compound Namesodium (4-methoxyphenyl) sulfite
PubChem CID175083766
Molecular FormulaC7H7NaO4S
Molecular Weight210.19 g/mol
Exact Mass210.00
IUPAC Namesodium (4-methoxyphenyl) sulfite
SMILESCOc1ccc(OS(=O)[O-])cc1.[Na+]
InChIInChI=1S/C7H8O4S.Na/c1-10-6-2-4-7(5-3-6)11-12(8)9;/h2-5H,1H3,(H,8,9);/q;+1/p-1
InChIKeyJQPLONLCLGYXPG-UHFFFAOYSA-M
XLogP-2.13
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-2.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium phenyl sulfite
CID 68748465
disodium;anisole;sulfite
CID 158776652
(4-hydroxyphenyl) sulfite
CID 22003406
phenyl sulfite
CID 14972829
(4-methoxyphenyl) 4-methoxybenzenesulfinate
CID 20694096
sodium;azane;hydride;phenyl sulfite
CID 174915825
potassium phenyl sulfite
CID 162337240
sodium 2-(4-methoxyphenoxy)ethanesulfinate
CID 134995293
(3,4-dibromophenyl) sulfite
CID 57145113
1-(ethylsulfinylmethyl)-4-methoxybenzene
CID 11074368
1-methoxy-4-[methyl(sulfinato)amino]benzene
CID 57253510
phenyl 4-methoxybenzenesulfinate
CID 20694097

Frequently Asked Questions

What is the IUPAC name of sodium (4-methoxyphenyl) sulfite?
The IUPAC name of sodium (4-methoxyphenyl) sulfite (CID 175083766) is sodium (4-methoxyphenyl) sulfite.
What is the SMILES notation for sodium (4-methoxyphenyl) sulfite?
The canonical SMILES for sodium (4-methoxyphenyl) sulfite is COc1ccc(OS(=O)[O-])cc1.[Na+].
What is the InChIKey of sodium (4-methoxyphenyl) sulfite?
The InChIKey is JQPLONLCLGYXPG-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8O4S.Na/c1-10-6-2-4-7(5-3-6)11-12(8)9;/h2-5H,1H3,(H,8,9);/q;+1/p-1.
What are the key properties of sodium (4-methoxyphenyl) sulfite?
sodium (4-methoxyphenyl) sulfite has a molecular weight of 210.19 g/mol, XLogP of -2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (4-methoxyphenyl) sulfite is sourced from PubChem (CID 175083766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).