silver 4-hydroxy-3-methylbenzenesulfonate

C7H7AgO4S — CID 174992481

IUPACsilver 4-hydroxy-3-methylbenzenesulfonate
SMILESCc1cc(S(=O)(=O)[O-])ccc1O.[Ag+]
InChIInChI=1S/C7H8O4S.Ag/c1-5-4-6(12(9,10)11)2-3-7(5)8;/h2-4,8H,1H3,(H,9,10,11);/q;+1/p-1
InChIKeyLXBJPNWMWHXVCX-UHFFFAOYSA-M
MW295.06 g/mol
LogP0.60
Rot. Bonds1

About silver 4-hydroxy-3-methylbenzenesulfonate

silver 4-hydroxy-3-methylbenzenesulfonate (PubChem CID 174992481) has the molecular formula C7H7AgO4S and a molecular weight of 295.06 g/mol. Its IUPAC name is silver 4-hydroxy-3-methylbenzenesulfonate.

Molecular Properties

Compound Namesilver 4-hydroxy-3-methylbenzenesulfonate
PubChem CID174992481
Molecular FormulaC7H7AgO4S
Molecular Weight295.06 g/mol
Exact Mass293.91
IUPAC Namesilver 4-hydroxy-3-methylbenzenesulfonate
SMILESCc1cc(S(=O)(=O)[O-])ccc1O.[Ag+]
InChIInChI=1S/C7H8O4S.Ag/c1-5-4-6(12(9,10)11)2-3-7(5)8;/h2-4,8H,1H3,(H,9,10,11);/q;+1/p-1
InChIKeyLXBJPNWMWHXVCX-UHFFFAOYSA-M
XLogP0.60
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.06
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 silver 4-hydroxy-3-methylbenzenesulfonate?
The IUPAC name of silver 4-hydroxy-3-methylbenzenesulfonate (CID 174992481) is silver 4-hydroxy-3-methylbenzenesulfonate.
What is the SMILES notation for silver 4-hydroxy-3-methylbenzenesulfonate?
The canonical SMILES for silver 4-hydroxy-3-methylbenzenesulfonate is Cc1cc(S(=O)(=O)[O-])ccc1O.[Ag+].
What is the InChIKey of silver 4-hydroxy-3-methylbenzenesulfonate?
The InChIKey is LXBJPNWMWHXVCX-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8O4S.Ag/c1-5-4-6(12(9,10)11)2-3-7(5)8;/h2-4,8H,1H3,(H,9,10,11);/q;+1/p-1.
What are the key properties of silver 4-hydroxy-3-methylbenzenesulfonate?
silver 4-hydroxy-3-methylbenzenesulfonate has a molecular weight of 295.06 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for silver 4-hydroxy-3-methylbenzenesulfonate is sourced from PubChem (CID 174992481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).