gold(1+);methyl sulfate

CH3AuO4S — CID 11965801

IUPACgold(1+);methyl sulfate
SMILESCOS(=O)(=O)[O-].[Au+]
InChIInChI=1S/CH4O4S.Au/c1-5-6(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1
InChIKeyRYJQRWANDAQVCU-UHFFFAOYSA-M
MW308.07 g/mol
LogP-0.91
Rot. Bonds1

About gold(1+);methyl sulfate

gold(1+);methyl sulfate (PubChem CID 11965801) has the molecular formula CH3AuO4S and a molecular weight of 308.07 g/mol. Its IUPAC name is gold(1+);methyl sulfate.

Molecular Properties

Compound Namegold(1+);methyl sulfate
PubChem CID11965801
Molecular FormulaCH3AuO4S
Molecular Weight308.07 g/mol
Exact Mass307.94
IUPAC Namegold(1+);methyl sulfate
SMILESCOS(=O)(=O)[O-].[Au+]
InChIInChI=1S/CH4O4S.Au/c1-5-6(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1
InChIKeyRYJQRWANDAQVCU-UHFFFAOYSA-M
XLogP-0.91
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.07
LogP ≤ 5-0.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze gold(1+);methyl sulfate 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 gold(1+);methyl sulfate?
The IUPAC name of gold(1+);methyl sulfate (CID 11965801) is gold(1+);methyl sulfate.
What is the SMILES notation for gold(1+);methyl sulfate?
The canonical SMILES for gold(1+);methyl sulfate is COS(=O)(=O)[O-].[Au+].
What is the InChIKey of gold(1+);methyl sulfate?
The InChIKey is RYJQRWANDAQVCU-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4O4S.Au/c1-5-6(2,3)4;/h1H3,(H,2,3,4);/q;+1/p-1.
What are the key properties of gold(1+);methyl sulfate?
gold(1+);methyl sulfate has a molecular weight of 308.07 g/mol, XLogP of -0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for gold(1+);methyl sulfate is sourced from PubChem (CID 11965801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).