sodium;azane;hydride;phenyl sulfite

C6H9NNaO3S- — CID 174915825

IUPACsodium;azane;hydride;phenyl sulfite
SMILESN.O=S([O-])Oc1ccccc1.[H-].[Na+]
InChIInChI=1S/C6H6O3S.H3N.Na.H/c7-10(8)9-6-4-2-1-3-5-6;;;/h1-5H,(H,7,8);1H3;;/q;;+1;-1/p-1
InChIKeyGWYUYEOIMTWLOT-UHFFFAOYSA-M
MW198.20 g/mol
LogP-1.86
Rot. Bonds2

About sodium;azane;hydride;phenyl sulfite

sodium;azane;hydride;phenyl sulfite (PubChem CID 174915825) has the molecular formula C6H9NNaO3S- and a molecular weight of 198.20 g/mol. Its IUPAC name is sodium;azane;hydride;phenyl sulfite.

Molecular Properties

Compound Namesodium;azane;hydride;phenyl sulfite
PubChem CID174915825
Molecular FormulaC6H9NNaO3S-
Molecular Weight198.20 g/mol
Exact Mass198.02
IUPAC Namesodium;azane;hydride;phenyl sulfite
SMILESN.O=S([O-])Oc1ccccc1.[H-].[Na+]
InChIInChI=1S/C6H6O3S.H3N.Na.H/c7-10(8)9-6-4-2-1-3-5-6;;;/h1-5H,(H,7,8);1H3;;/q;;+1;-1/p-1
InChIKeyGWYUYEOIMTWLOT-UHFFFAOYSA-M
XLogP-1.86
TPSA84.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 5-1.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze sodium;azane;hydride;phenyl 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

sodium phenyl sulfite
CID 68748465
phenyl sulfite
CID 14972829
potassium phenyl sulfite
CID 162337240
sodium;hydride;phenyl hydrogen sulfite
CID 174520847
sodium (4-methoxyphenyl) sulfite
CID 175083766
disodium;anisole;sulfite
CID 158776652
(4-hydroxyphenyl) sulfite
CID 22003406
sodium;hydride;phenyl aminomethanesulfinate
CID 174802151
sodium;hydride;phenyl 2-methylpropane-2-sulfinate
CID 174955645
naphthalen-2-yl sulfite;nickel
CID 175470148
sodium (2-aminophenyl) sulfite
CID 156780353
[4-(trifluoromethoxy)phenyl] sulfite
CID 68538946

Frequently Asked Questions

What is the IUPAC name of sodium;azane;hydride;phenyl sulfite?
The IUPAC name of sodium;azane;hydride;phenyl sulfite (CID 174915825) is sodium;azane;hydride;phenyl sulfite.
What is the SMILES notation for sodium;azane;hydride;phenyl sulfite?
The canonical SMILES for sodium;azane;hydride;phenyl sulfite is N.O=S([O-])Oc1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;azane;hydride;phenyl sulfite?
The InChIKey is GWYUYEOIMTWLOT-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O3S.H3N.Na.H/c7-10(8)9-6-4-2-1-3-5-6;;;/h1-5H,(H,7,8);1H3;;/q;;+1;-1/p-1.
What are the key properties of sodium;azane;hydride;phenyl sulfite?
sodium;azane;hydride;phenyl sulfite has a molecular weight of 198.20 g/mol, XLogP of -1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;azane;hydride;phenyl sulfite is sourced from PubChem (CID 174915825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).