zinc methyl sulfite

C2H6O6S2Zn — CID 88792512

IUPACzinc methyl sulfite
SMILESCOS(=O)[O-].COS(=O)[O-].[Zn+2]
InChIInChI=1S/2CH4O3S.Zn/c2*1-4-5(2)3;/h2*1H3,(H,2,3);/q;;+2/p-2
InChIKeyCXFMADOSIZGZDS-UHFFFAOYSA-L
MW255.59 g/mol
LogP-1.15
Rot. Bonds2

About zinc methyl sulfite

zinc methyl sulfite (PubChem CID 88792512) has the molecular formula C2H6O6S2Zn and a molecular weight of 255.59 g/mol. Its IUPAC name is zinc methyl sulfite.

Molecular Properties

Compound Namezinc methyl sulfite
PubChem CID88792512
Molecular FormulaC2H6O6S2Zn
Molecular Weight255.59 g/mol
Exact Mass253.89
IUPAC Namezinc methyl sulfite
SMILESCOS(=O)[O-].COS(=O)[O-].[Zn+2]
InChIInChI=1S/2CH4O3S.Zn/c2*1-4-5(2)3;/h2*1H3,(H,2,3);/q;;+2/p-2
InChIKeyCXFMADOSIZGZDS-UHFFFAOYSA-L
XLogP-1.15
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.59
LogP ≤ 5-1.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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Zinc dithionite
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methoxycarbonyl sulfite
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dipotassium;sulfinato sulfite
CID 516928
ethane;methyl methanesulfinate
CID 90810539
acetaldehyde;N,N-dimethylformamide;methanesulfinate;methyl formate;[methyl(sulfinato)amino]methane;methyl sulfite
CID 159688878
(sulfinatoamino)oxymethane
CID 21394688
borono sulfite
CID 138978625
CID 87376343
CID 87376343
chromium;hydroxy sulfite;hydrate
CID 58883075

Frequently Asked Questions

What is the IUPAC name of zinc methyl sulfite?
The IUPAC name of zinc methyl sulfite (CID 88792512) is zinc methyl sulfite.
What is the SMILES notation for zinc methyl sulfite?
The canonical SMILES for zinc methyl sulfite is COS(=O)[O-].COS(=O)[O-].[Zn+2].
What is the InChIKey of zinc methyl sulfite?
The InChIKey is CXFMADOSIZGZDS-UHFFFAOYSA-L. The full InChI is InChI=1S/2CH4O3S.Zn/c2*1-4-5(2)3;/h2*1H3,(H,2,3);/q;;+2/p-2.
What are the key properties of zinc methyl sulfite?
zinc methyl sulfite has a molecular weight of 255.59 g/mol, XLogP of -1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc methyl sulfite is sourced from PubChem (CID 88792512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).