sodium;2H-benzotriazole-4-sulfonic acid;hydride;silver

C6H6AgN3NaO3S — CID 173386436

IUPACsodium;2H-benzotriazole-4-sulfonic acid;hydride;silver
SMILESO=S(=O)(O)c1cccc2n[nH]nc12.[Ag].[H-].[Na+]
InChIInChI=1S/C6H5N3O3S.Ag.Na.H/c10-13(11,12)5-3-1-2-4-6(5)8-9-7-4;;;/h1-3H,(H,7,8,9)(H,10,11,12);;;/q;;+1;-1
InChIKeyQKNNGLJKXDWMIN-UHFFFAOYSA-N
MW331.06 g/mol
LogP-2.68
Rot. Bonds1

About sodium;2H-benzotriazole-4-sulfonic acid;hydride;silver

sodium;2H-benzotriazole-4-sulfonic acid;hydride;silver (PubChem CID 173386436) has the molecular formula C6H6AgN3NaO3S and a molecular weight of 331.06 g/mol. Its IUPAC name is sodium;2H-benzotriazole-4-sulfonic acid;hydride;silver.

Molecular Properties

Compound Namesodium;2H-benzotriazole-4-sulfonic acid;hydride;silver
PubChem CID173386436
Molecular FormulaC6H6AgN3NaO3S
Molecular Weight331.06 g/mol
Exact Mass329.91
IUPAC Namesodium;2H-benzotriazole-4-sulfonic acid;hydride;silver
SMILESO=S(=O)(O)c1cccc2n[nH]nc12.[Ag].[H-].[Na+]
InChIInChI=1S/C6H5N3O3S.Ag.Na.H/c10-13(11,12)5-3-1-2-4-6(5)8-9-7-4;;;/h1-3H,(H,7,8,9)(H,10,11,12);;;/q;;+1;-1
InChIKeyQKNNGLJKXDWMIN-UHFFFAOYSA-N
XLogP-2.68
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.06
LogP ≤ 5-2.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze sodium;2H-benzotriazole-4-sulfonic acid;hydride;silver with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methylsulfonyl-2H-benzotriazole
CID 54569293
sodium;hydride;phenazine-1-sulfonic acid
CID 174984753
2H-benzotriazole;2-methylbenzenesulfonic acid
CID 174960980
azane;2H-benzotriazole-4-carboxylic acid;silver
CID 173422374
sodium;1H-benzimidazole-4-sulfonic acid;hydride
CID 173431906
naphthalene-1,5-disulfonic acid;silver
CID 88762000
2-(2H-benzotriazol-4-ylamino)acetic acid
CID 67894224
2H-benzotriazol-4-ylmercury
CID 70502598
copper bis(2H-benzotriazole-4-carboxylate)
CID 70170962
zinc bis(2H-benzotriazole-4-carboxylate)
CID 157421102
2H-benzotriazol-4-yl-methyl-oxoazanium
CID 142034313
2H-benzotriazol-4-ylboronic acid
CID 119085064

Frequently Asked Questions

What is the IUPAC name of sodium;2H-benzotriazole-4-sulfonic acid;hydride;silver?
The IUPAC name of sodium;2H-benzotriazole-4-sulfonic acid;hydride;silver (CID 173386436) is sodium;2H-benzotriazole-4-sulfonic acid;hydride;silver.
What is the SMILES notation for sodium;2H-benzotriazole-4-sulfonic acid;hydride;silver?
The canonical SMILES for sodium;2H-benzotriazole-4-sulfonic acid;hydride;silver is O=S(=O)(O)c1cccc2n[nH]nc12.[Ag].[H-].[Na+].
What is the InChIKey of sodium;2H-benzotriazole-4-sulfonic acid;hydride;silver?
The InChIKey is QKNNGLJKXDWMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O3S.Ag.Na.H/c10-13(11,12)5-3-1-2-4-6(5)8-9-7-4;;;/h1-3H,(H,7,8,9)(H,10,11,12);;;/q;;+1;-1.
What are the key properties of sodium;2H-benzotriazole-4-sulfonic acid;hydride;silver?
sodium;2H-benzotriazole-4-sulfonic acid;hydride;silver has a molecular weight of 331.06 g/mol, XLogP of -2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2H-benzotriazole-4-sulfonic acid;hydride;silver is sourced from PubChem (CID 173386436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).