zinc;methanol;sulfate

CH4O5SZn — CID 87569846

IUPACzinc;methanol;sulfate
SMILESCO.O=S(=O)([O-])[O-].[Zn+2]
InChIInChI=1S/CH4O.H2O4S.Zn/c1-2;1-5(2,3)4;/h2H,1H3;(H2,1,2,3,4);/q;;+2/p-2
InChIKeyKYLUDJPLCGRPEN-UHFFFAOYSA-L
MW193.49 g/mol
LogP-1.73
Rot. Bonds

About zinc;methanol;sulfate

zinc;methanol;sulfate (PubChem CID 87569846) has the molecular formula CH4O5SZn and a molecular weight of 193.49 g/mol. Its IUPAC name is zinc;methanol;sulfate.

Molecular Properties

Compound Namezinc;methanol;sulfate
PubChem CID87569846
Molecular FormulaCH4O5SZn
Molecular Weight193.49 g/mol
Exact Mass191.91
IUPAC Namezinc;methanol;sulfate
SMILESCO.O=S(=O)([O-])[O-].[Zn+2]
InChIInChI=1S/CH4O.H2O4S.Zn/c1-2;1-5(2,3)4;/h2H,1H3;(H2,1,2,3,4);/q;;+2/p-2
InChIKeyKYLUDJPLCGRPEN-UHFFFAOYSA-L
XLogP-1.73
TPSA100.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.49
LogP ≤ 5-1.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of zinc;methanol;sulfate?
The IUPAC name of zinc;methanol;sulfate (CID 87569846) is zinc;methanol;sulfate.
What is the SMILES notation for zinc;methanol;sulfate?
The canonical SMILES for zinc;methanol;sulfate is CO.O=S(=O)([O-])[O-].[Zn+2].
What is the InChIKey of zinc;methanol;sulfate?
The InChIKey is KYLUDJPLCGRPEN-UHFFFAOYSA-L. The full InChI is InChI=1S/CH4O.H2O4S.Zn/c1-2;1-5(2,3)4;/h2H,1H3;(H2,1,2,3,4);/q;;+2/p-2.
What are the key properties of zinc;methanol;sulfate?
zinc;methanol;sulfate has a molecular weight of 193.49 g/mol, XLogP of -1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;methanol;sulfate is sourced from PubChem (CID 87569846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).