naphthalen-2-yl sulfite;nickel

C10H7NiO3S- — CID 175470148

IUPACnaphthalen-2-yl sulfite;nickel
SMILESO=S([O-])Oc1ccc2ccccc2c1.[Ni]
InChIInChI=1S/C10H8O3S.Ni/c11-14(12)13-10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,11,12);/p-1
InChIKeyXOEJXCXIOWVNDW-UHFFFAOYSA-M
MW265.92 g/mol
LogP2.01
Rot. Bonds2

About naphthalen-2-yl sulfite;nickel

naphthalen-2-yl sulfite;nickel (PubChem CID 175470148) has the molecular formula C10H7NiO3S- and a molecular weight of 265.92 g/mol. Its IUPAC name is naphthalen-2-yl sulfite;nickel.

Molecular Properties

Compound Namenaphthalen-2-yl sulfite;nickel
PubChem CID175470148
Molecular FormulaC10H7NiO3S-
Molecular Weight265.92 g/mol
Exact Mass264.95
IUPAC Namenaphthalen-2-yl sulfite;nickel
SMILESO=S([O-])Oc1ccc2ccccc2c1.[Ni]
InChIInChI=1S/C10H8O3S.Ni/c11-14(12)13-10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,11,12);/p-1
InChIKeyXOEJXCXIOWVNDW-UHFFFAOYSA-M
XLogP2.01
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.92
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze naphthalen-2-yl sulfite;nickel 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

(8-aminonaphthalen-2-yl) sulfite
CID 174386397
phenyl sulfite
CID 14972829
(3-aminonaphthalen-2-yl) sulfite
CID 174651663
(5-nitronaphthalen-2-yl) sulfite
CID 174884263
(8-nitronaphthalen-2-yl) sulfite
CID 174883830
potassium phenyl sulfite
CID 162337240
sodium phenyl sulfite
CID 68748465
(3,4-dibromophenyl) sulfite
CID 57145113
[methyl(naphthalen-2-yl)amino] sulfite
CID 174392353
sodium;azane;hydride;phenyl sulfite
CID 174915825
(6-tridecylnaphthalen-2-yl) sulfite
CID 174869132
naphthalen-2-yl nitrate
CID 13161391

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl sulfite;nickel?
The IUPAC name of naphthalen-2-yl sulfite;nickel (CID 175470148) is naphthalen-2-yl sulfite;nickel.
What is the SMILES notation for naphthalen-2-yl sulfite;nickel?
The canonical SMILES for naphthalen-2-yl sulfite;nickel is O=S([O-])Oc1ccc2ccccc2c1.[Ni].
What is the InChIKey of naphthalen-2-yl sulfite;nickel?
The InChIKey is XOEJXCXIOWVNDW-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H8O3S.Ni/c11-14(12)13-10-6-5-8-3-1-2-4-9(8)7-10;/h1-7H,(H,11,12);/p-1.
What are the key properties of naphthalen-2-yl sulfite;nickel?
naphthalen-2-yl sulfite;nickel has a molecular weight of 265.92 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl sulfite;nickel is sourced from PubChem (CID 175470148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).