bis(chromium(3+));tris(oxygen(2-));sulfate

Cr2O7S-2 — CID 131710712

IUPACbis(chromium(3+));tris(oxygen(2-));sulfate
SMILESO=S(=O)([O-])[O-].[Cr+3].[Cr+3].[O-2].[O-2].[O-2]
InChIInChI=1S/2Cr.H2O4S.3O/c;;1-5(2,3)4;;;/h;;(H2,1,2,3,4);;;/q2*+3;;3*-2/p-2
InChIKeyZVODSTJKZOOBPY-UHFFFAOYSA-L
MW248.05 g/mol
LogP-1.70
Rot. Bonds

About bis(chromium(3+));tris(oxygen(2-));sulfate

bis(chromium(3+));tris(oxygen(2-));sulfate (PubChem CID 131710712) has the molecular formula Cr2O7S-2 and a molecular weight of 248.05 g/mol. Its IUPAC name is bis(chromium(3+));tris(oxygen(2-));sulfate.

Molecular Properties

Compound Namebis(chromium(3+));tris(oxygen(2-));sulfate
PubChem CID131710712
Molecular FormulaCr2O7S-2
Molecular Weight248.05 g/mol
Exact Mass247.82
IUPAC Namebis(chromium(3+));tris(oxygen(2-));sulfate
SMILESO=S(=O)([O-])[O-].[Cr+3].[Cr+3].[O-2].[O-2].[O-2]
InChIInChI=1S/2Cr.H2O4S.3O/c;;1-5(2,3)4;;;/h;;(H2,1,2,3,4);;;/q2*+3;;3*-2/p-2
InChIKeyZVODSTJKZOOBPY-UHFFFAOYSA-L
XLogP-1.70
TPSA165.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.05
LogP ≤ 5-1.70
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'}

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Frequently Asked Questions

What is the IUPAC name of bis(chromium(3+));tris(oxygen(2-));sulfate?
The IUPAC name of bis(chromium(3+));tris(oxygen(2-));sulfate (CID 131710712) is bis(chromium(3+));tris(oxygen(2-));sulfate.
What is the SMILES notation for bis(chromium(3+));tris(oxygen(2-));sulfate?
The canonical SMILES for bis(chromium(3+));tris(oxygen(2-));sulfate is O=S(=O)([O-])[O-].[Cr+3].[Cr+3].[O-2].[O-2].[O-2].
What is the InChIKey of bis(chromium(3+));tris(oxygen(2-));sulfate?
The InChIKey is ZVODSTJKZOOBPY-UHFFFAOYSA-L. The full InChI is InChI=1S/2Cr.H2O4S.3O/c;;1-5(2,3)4;;;/h;;(H2,1,2,3,4);;;/q2*+3;;3*-2/p-2.
What are the key properties of bis(chromium(3+));tris(oxygen(2-));sulfate?
bis(chromium(3+));tris(oxygen(2-));sulfate has a molecular weight of 248.05 g/mol, XLogP of -1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(chromium(3+));tris(oxygen(2-));sulfate is sourced from PubChem (CID 131710712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).