benzenesulfonic acid;manganese

C6H6MnO3S — CID 87184776

IUPACbenzenesulfonic acid;manganese
SMILESO=S(=O)(O)c1ccccc1.[Mn]
InChIInChI=1S/C6H6O3S.Mn/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);
InChIKeyKCYQEETVXAKDNH-UHFFFAOYSA-N
MW213.12 g/mol
LogP0.93
Rot. Bonds1

About benzenesulfonic acid;manganese

benzenesulfonic acid;manganese (PubChem CID 87184776) has the molecular formula C6H6MnO3S and a molecular weight of 213.12 g/mol. Its IUPAC name is benzenesulfonic acid;manganese.

Molecular Properties

Compound Namebenzenesulfonic acid;manganese
PubChem CID87184776
Molecular FormulaC6H6MnO3S
Molecular Weight213.12 g/mol
Exact Mass212.94
IUPAC Namebenzenesulfonic acid;manganese
SMILESO=S(=O)(O)c1ccccc1.[Mn]
InChIInChI=1S/C6H6O3S.Mn/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);
InChIKeyKCYQEETVXAKDNH-UHFFFAOYSA-N
XLogP0.93
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.12
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzenesulfonic acid;manganese?
The IUPAC name of benzenesulfonic acid;manganese (CID 87184776) is benzenesulfonic acid;manganese.
What is the SMILES notation for benzenesulfonic acid;manganese?
The canonical SMILES for benzenesulfonic acid;manganese is O=S(=O)(O)c1ccccc1.[Mn].
What is the InChIKey of benzenesulfonic acid;manganese?
The InChIKey is KCYQEETVXAKDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O3S.Mn/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);.
What are the key properties of benzenesulfonic acid;manganese?
benzenesulfonic acid;manganese has a molecular weight of 213.12 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonic acid;manganese is sourced from PubChem (CID 87184776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).