molybdenum trisulfate

MoO12S3-6 — CID 23513550

About molybdenum trisulfate

molybdenum trisulfate (PubChem CID 23513550) has the molecular formula MoO12S3-6 and a molecular weight of 384.13 g/mol. Its IUPAC name is molybdenum trisulfate.

Molecular Properties

• Compound Name: molybdenum trisulfate
• PubChem CID: 23513550
• Molecular Formula: MoO12S3-6
• Molecular Weight: 384.13 g/mol
• Exact Mass: 385.76
• IUPAC Name: molybdenum trisulfate
• SMILES: O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Mo]
• InChI: InChI=1S/Mo.3H2O4S/c;3*1-5(2,3)4/h;3*(H2,1,2,3,4)/p-6
• InChIKey: YCTXNKQQQBSTFO-UHFFFAOYSA-H
• XLogP: -4.02
• TPSA: 240.78 Ų
• H-Bond Acceptors: 12
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	384.13
LogP ≤ 5	-4.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of molybdenum trisulfate?

The IUPAC name of molybdenum trisulfate (CID 23513550) is molybdenum trisulfate.

What is the SMILES notation for molybdenum trisulfate?

The canonical SMILES for molybdenum trisulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Mo].

What is the InChIKey of molybdenum trisulfate?

The InChIKey is YCTXNKQQQBSTFO-UHFFFAOYSA-H. The full InChI is InChI=1S/Mo.3H2O4S/c;3*1-5(2,3)4/h;3*(H2,1,2,3,4)/p-6.

What are the key properties of molybdenum trisulfate?

molybdenum trisulfate has a molecular weight of 384.13 g/mol, XLogP of -4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for molybdenum trisulfate is sourced from PubChem (CID 23513550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).