silver 5-methylbenzotriazole-5-sulfonate

C7H6AgN3O3S — CID 88597525

IUPACsilver 5-methylbenzotriazole-5-sulfonate
SMILESCC1(S(=O)(=O)[O-])C=CC2=NN=NC2=C1.[Ag+]
InChIInChI=1S/C7H7N3O3S.Ag/c1-7(14(11,12)13)3-2-5-6(4-7)9-10-8-5;/h2-4H,1H3,(H,11,12,13);/q;+1/p-1
InChIKeyRYITWHRXQYWZIC-UHFFFAOYSA-M
MW320.08 g/mol
LogP0.56
Rot. Bonds1

About silver 5-methylbenzotriazole-5-sulfonate

silver 5-methylbenzotriazole-5-sulfonate (PubChem CID 88597525) has the molecular formula C7H6AgN3O3S and a molecular weight of 320.08 g/mol. Its IUPAC name is silver 5-methylbenzotriazole-5-sulfonate.

Molecular Properties

Compound Namesilver 5-methylbenzotriazole-5-sulfonate
PubChem CID88597525
Molecular FormulaC7H6AgN3O3S
Molecular Weight320.08 g/mol
Exact Mass318.92
IUPAC Namesilver 5-methylbenzotriazole-5-sulfonate
SMILESCC1(S(=O)(=O)[O-])C=CC2=NN=NC2=C1.[Ag+]
InChIInChI=1S/C7H7N3O3S.Ag/c1-7(14(11,12)13)3-2-5-6(4-7)9-10-8-5;/h2-4H,1H3,(H,11,12,13);/q;+1/p-1
InChIKeyRYITWHRXQYWZIC-UHFFFAOYSA-M
XLogP0.56
TPSA94.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.08
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 5-methylbenzotriazole-5-sulfonate?
The IUPAC name of silver 5-methylbenzotriazole-5-sulfonate (CID 88597525) is silver 5-methylbenzotriazole-5-sulfonate.
What is the SMILES notation for silver 5-methylbenzotriazole-5-sulfonate?
The canonical SMILES for silver 5-methylbenzotriazole-5-sulfonate is CC1(S(=O)(=O)[O-])C=CC2=NN=NC2=C1.[Ag+].
What is the InChIKey of silver 5-methylbenzotriazole-5-sulfonate?
The InChIKey is RYITWHRXQYWZIC-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7N3O3S.Ag/c1-7(14(11,12)13)3-2-5-6(4-7)9-10-8-5;/h2-4H,1H3,(H,11,12,13);/q;+1/p-1.
What are the key properties of silver 5-methylbenzotriazole-5-sulfonate?
silver 5-methylbenzotriazole-5-sulfonate has a molecular weight of 320.08 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for silver 5-methylbenzotriazole-5-sulfonate is sourced from PubChem (CID 88597525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).