chromium(4+);oxygen(2-);sulfate

CrO5S — CID 159608129

IUPACchromium(4+);oxygen(2-);sulfate
SMILESO=S(=O)([O-])[O-].[Cr+4].[O-2]
InChIInChI=1S/Cr.H2O4S.O/c;1-5(2,3)4;/h;(H2,1,2,3,4);/q+4;;-2/p-2
InChIKeyMMIJAPCSAQYSSL-UHFFFAOYSA-L
MW164.06 g/mol
LogP-1.46
Rot. Bonds

About chromium(4+);oxygen(2-);sulfate

chromium(4+);oxygen(2-);sulfate (PubChem CID 159608129) has the molecular formula CrO5S and a molecular weight of 164.06 g/mol. Its IUPAC name is chromium(4+);oxygen(2-);sulfate.

Molecular Properties

Compound Namechromium(4+);oxygen(2-);sulfate
PubChem CID159608129
Molecular FormulaCrO5S
Molecular Weight164.06 g/mol
Exact Mass163.89
IUPAC Namechromium(4+);oxygen(2-);sulfate
SMILESO=S(=O)([O-])[O-].[Cr+4].[O-2]
InChIInChI=1S/Cr.H2O4S.O/c;1-5(2,3)4;/h;(H2,1,2,3,4);/q+4;;-2/p-2
InChIKeyMMIJAPCSAQYSSL-UHFFFAOYSA-L
XLogP-1.46
TPSA108.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.06
LogP ≤ 5-1.46
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 chromium(4+);oxygen(2-);sulfate?
The IUPAC name of chromium(4+);oxygen(2-);sulfate (CID 159608129) is chromium(4+);oxygen(2-);sulfate.
What is the SMILES notation for chromium(4+);oxygen(2-);sulfate?
The canonical SMILES for chromium(4+);oxygen(2-);sulfate is O=S(=O)([O-])[O-].[Cr+4].[O-2].
What is the InChIKey of chromium(4+);oxygen(2-);sulfate?
The InChIKey is MMIJAPCSAQYSSL-UHFFFAOYSA-L. The full InChI is InChI=1S/Cr.H2O4S.O/c;1-5(2,3)4;/h;(H2,1,2,3,4);/q+4;;-2/p-2.
What are the key properties of chromium(4+);oxygen(2-);sulfate?
chromium(4+);oxygen(2-);sulfate has a molecular weight of 164.06 g/mol, XLogP of -1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(4+);oxygen(2-);sulfate is sourced from PubChem (CID 159608129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).