1,3-benzoxazole-2-sulfonic acid;silver

C7H5AgNO4S — CID 160787540

IUPAC1,3-benzoxazole-2-sulfonic acid;silver
SMILESO=S(=O)(O)c1nc2ccccc2o1.[Ag]
InChIInChI=1S/C7H5NO4S.Ag/c9-13(10,11)7-8-5-3-1-2-4-6(5)12-7;/h1-4H,(H,9,10,11);
InChIKeySBKDMVAZOHIMSZ-UHFFFAOYSA-N
MW307.06 g/mol
LogP1.07
Rot. Bonds1

About 1,3-benzoxazole-2-sulfonic acid;silver

1,3-benzoxazole-2-sulfonic acid;silver (PubChem CID 160787540) has the molecular formula C7H5AgNO4S and a molecular weight of 307.06 g/mol. Its IUPAC name is 1,3-benzoxazole-2-sulfonic acid;silver.

Molecular Properties

Compound Name1,3-benzoxazole-2-sulfonic acid;silver
PubChem CID160787540
Molecular FormulaC7H5AgNO4S
Molecular Weight307.06 g/mol
Exact Mass305.90
IUPAC Name1,3-benzoxazole-2-sulfonic acid;silver
SMILESO=S(=O)(O)c1nc2ccccc2o1.[Ag]
InChIInChI=1S/C7H5NO4S.Ag/c9-13(10,11)7-8-5-3-1-2-4-6(5)12-7;/h1-4H,(H,9,10,11);
InChIKeySBKDMVAZOHIMSZ-UHFFFAOYSA-N
XLogP1.07
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.06
LogP ≤ 51.07
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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Related Compounds

2-(trifluoromethylsulfonyl)-1,3-benzoxazole
CID 154146633
N,N-dimethyl-1,3-benzoxazole-2-sulfonamide
CID 71369895
1,3-benzoxazol-2-ylmethanesulfonic acid
CID 12745947
formamide;2-methylsulfonyl-1,3-benzoxazole
CID 67836610
N-propan-2-yl-1,3-benzoxazole-2-sulfonamide
CID 71633138
2-[4-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole-5-sulfonic acid
CID 58810936
N-(1,3-benzoxazol-2-yl-methyl-oxo-λ6-sulfanylidene)sulfamoyl chloride
CID 125425075
2-(azonan-1-ylsulfonyl)-1,3-benzoxazole
CID 175303024
5-(1,3-benzoxazol-2-yl)-2-[2-[4-(1,3-benzoxazol-2-yl)-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 157169382
2-(1,3-benzoxazol-2-ylsulfonyl)-N-(2-hydroxyethyl)acetamide
CID 102139420
1,3-benzoxazol-2-yl(trimethyl)silane
CID 12934592
carbonyl difluoride;2-phenyl-1,3-benzoxazole
CID 158063385

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazole-2-sulfonic acid;silver?
The IUPAC name of 1,3-benzoxazole-2-sulfonic acid;silver (CID 160787540) is 1,3-benzoxazole-2-sulfonic acid;silver.
What is the SMILES notation for 1,3-benzoxazole-2-sulfonic acid;silver?
The canonical SMILES for 1,3-benzoxazole-2-sulfonic acid;silver is O=S(=O)(O)c1nc2ccccc2o1.[Ag].
What is the InChIKey of 1,3-benzoxazole-2-sulfonic acid;silver?
The InChIKey is SBKDMVAZOHIMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO4S.Ag/c9-13(10,11)7-8-5-3-1-2-4-6(5)12-7;/h1-4H,(H,9,10,11);.
What are the key properties of 1,3-benzoxazole-2-sulfonic acid;silver?
1,3-benzoxazole-2-sulfonic acid;silver has a molecular weight of 307.06 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazole-2-sulfonic acid;silver is sourced from PubChem (CID 160787540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).