CID 20524603

C2H2O4SZn — CID 20524603

IUPAC—
SMILESO=CC=O.[O-]S[O-].[Zn+2]
InChIInChI=1S/C2H2O2.H2O2S.Zn/c3-1-2-4;1-3-2;/h1-2H;1-2H;/q;;+2/p-2
InChIKeyFEBTXSRAEIYNAV-UHFFFAOYSA-L
MW187.49 g/mol
LogP-0.64
Rot. Bonds1

About CID 20524603

CID 20524603 (PubChem CID 20524603) has the molecular formula C2H2O4SZn and a molecular weight of 187.49 g/mol.

Molecular Properties

Compound NameCID 20524603
PubChem CID20524603
Molecular FormulaC2H2O4SZn
Molecular Weight187.49 g/mol
Exact Mass185.90
IUPAC Name—
SMILESO=CC=O.[O-]S[O-].[Zn+2]
InChIInChI=1S/C2H2O2.H2O2S.Zn/c3-1-2-4;1-3-2;/h1-2H;1-2H;/q;;+2/p-2
InChIKeyFEBTXSRAEIYNAV-UHFFFAOYSA-L
XLogP-0.64
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.49
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 20524603?
The IUPAC name of CID 20524603 (CID 20524603) is not available.
What is the SMILES notation for CID 20524603?
The canonical SMILES for CID 20524603 is O=CC=O.[O-]S[O-].[Zn+2].
What is the InChIKey of CID 20524603?
The InChIKey is FEBTXSRAEIYNAV-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H2O2.H2O2S.Zn/c3-1-2-4;1-3-2;/h1-2H;1-2H;/q;;+2/p-2.
What are the key properties of CID 20524603?
CID 20524603 has a molecular weight of 187.49 g/mol, XLogP of -0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20524603 is sourced from PubChem (CID 20524603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).