zinc methanesulfinate

C2H6O4S2Zn — CID 13240720

IUPACzinc methanesulfinate
SMILESCS(=O)[O-].CS(=O)[O-].[Zn+2]
InChIInChI=1S/2CH4O2S.Zn/c2*1-4(2)3;/h2*1H3,(H,2,3);/q;;+2/p-2
InChIKeyGZNJMJICPWKRQK-UHFFFAOYSA-L
MW223.59 g/mol
LogP-1.01
Rot. Bonds

About zinc methanesulfinate

zinc methanesulfinate (PubChem CID 13240720) has the molecular formula C2H6O4S2Zn and a molecular weight of 223.59 g/mol. Its IUPAC name is zinc methanesulfinate.

Molecular Properties

Compound Namezinc methanesulfinate
PubChem CID13240720
Molecular FormulaC2H6O4S2Zn
Molecular Weight223.59 g/mol
Exact Mass221.90
IUPAC Namezinc methanesulfinate
SMILESCS(=O)[O-].CS(=O)[O-].[Zn+2]
InChIInChI=1S/2CH4O2S.Zn/c2*1-4(2)3;/h2*1H3,(H,2,3);/q;;+2/p-2
InChIKeyGZNJMJICPWKRQK-UHFFFAOYSA-L
XLogP-1.01
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.59
LogP ≤ 5-1.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze zinc methanesulfinate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of zinc methanesulfinate?
The IUPAC name of zinc methanesulfinate (CID 13240720) is zinc methanesulfinate.
What is the SMILES notation for zinc methanesulfinate?
The canonical SMILES for zinc methanesulfinate is CS(=O)[O-].CS(=O)[O-].[Zn+2].
What is the InChIKey of zinc methanesulfinate?
The InChIKey is GZNJMJICPWKRQK-UHFFFAOYSA-L. The full InChI is InChI=1S/2CH4O2S.Zn/c2*1-4(2)3;/h2*1H3,(H,2,3);/q;;+2/p-2.
What are the key properties of zinc methanesulfinate?
zinc methanesulfinate has a molecular weight of 223.59 g/mol, XLogP of -1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc methanesulfinate is sourced from PubChem (CID 13240720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).