sodium;hydride;phenyl hydrogen sulfite

C6H7NaO3S — CID 174520847

IUPACsodium;hydride;phenyl hydrogen sulfite
SMILESO=S(O)Oc1ccccc1.[H-].[Na+]
InChIInChI=1S/C6H6O3S.Na.H/c7-10(8)9-6-4-2-1-3-5-6;;/h1-5H,(H,7,8);;/q;+1;-1
InChIKeyCUJHGQOOVVATAQ-UHFFFAOYSA-N
MW182.18 g/mol
LogP-1.68
Rot. Bonds2

About sodium;hydride;phenyl hydrogen sulfite

sodium;hydride;phenyl hydrogen sulfite (PubChem CID 174520847) has the molecular formula C6H7NaO3S and a molecular weight of 182.18 g/mol. Its IUPAC name is sodium;hydride;phenyl hydrogen sulfite.

Molecular Properties

Compound Namesodium;hydride;phenyl hydrogen sulfite
PubChem CID174520847
Molecular FormulaC6H7NaO3S
Molecular Weight182.18 g/mol
Exact Mass182.00
IUPAC Namesodium;hydride;phenyl hydrogen sulfite
SMILESO=S(O)Oc1ccccc1.[H-].[Na+]
InChIInChI=1S/C6H6O3S.Na.H/c7-10(8)9-6-4-2-1-3-5-6;;/h1-5H,(H,7,8);;/q;+1;-1
InChIKeyCUJHGQOOVVATAQ-UHFFFAOYSA-N
XLogP-1.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-1.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze sodium;hydride;phenyl hydrogen sulfite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethoxyethane;phenyl hydrogen sulfite
CID 67022432
sodium;azane;hydride;phenyl sulfite
CID 174915825
sodium phenyl sulfite
CID 68748465
pyridin-3-yl hydrogen sulfite
CID 68912651
sodium;hydride;phenyl 2-methylpropane-2-sulfinate
CID 174955645
sodium;hydride;phenyl aminomethanesulfinate
CID 174802151
phenyl sulfite
CID 14972829
potassium phenyl sulfite
CID 162337240
phenyl sulfino carbonate
CID 56974658
oxo-phenoxy-sulfinooxyphosphanium
CID 69029369
phenyl phenylmethanesulfinate
CID 57132104
dibenzofuran-2-yl hydrogen sulfite
CID 174423504

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;phenyl hydrogen sulfite?
The IUPAC name of sodium;hydride;phenyl hydrogen sulfite (CID 174520847) is sodium;hydride;phenyl hydrogen sulfite.
What is the SMILES notation for sodium;hydride;phenyl hydrogen sulfite?
The canonical SMILES for sodium;hydride;phenyl hydrogen sulfite is O=S(O)Oc1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;phenyl hydrogen sulfite?
The InChIKey is CUJHGQOOVVATAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3S.Na.H/c7-10(8)9-6-4-2-1-3-5-6;;/h1-5H,(H,7,8);;/q;+1;-1.
What are the key properties of sodium;hydride;phenyl hydrogen sulfite?
sodium;hydride;phenyl hydrogen sulfite has a molecular weight of 182.18 g/mol, XLogP of -1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;phenyl hydrogen sulfite is sourced from PubChem (CID 174520847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).