gold;(4-sulfanylphenyl)boronic acid

C6H7AuBO2S — CID 175015636

IUPACgold;(4-sulfanylphenyl)boronic acid
SMILESOB(O)c1ccc(S)cc1.[Au]
InChIInChI=1S/C6H7BO2S.Au/c8-7(9)5-1-3-6(10)4-2-5;/h1-4,8-10H;
InChIKeyRWAKUNGKWXHBMP-UHFFFAOYSA-N
MW350.97 g/mol
LogP-0.35
Rot. Bonds1

About gold;(4-sulfanylphenyl)boronic acid

gold;(4-sulfanylphenyl)boronic acid (PubChem CID 175015636) has the molecular formula C6H7AuBO2S and a molecular weight of 350.97 g/mol. Its IUPAC name is gold;(4-sulfanylphenyl)boronic acid.

Molecular Properties

Compound Namegold;(4-sulfanylphenyl)boronic acid
PubChem CID175015636
Molecular FormulaC6H7AuBO2S
Molecular Weight350.97 g/mol
Exact Mass350.99
IUPAC Namegold;(4-sulfanylphenyl)boronic acid
SMILESOB(O)c1ccc(S)cc1.[Au]
InChIInChI=1S/C6H7BO2S.Au/c8-7(9)5-1-3-6(10)4-2-5;/h1-4,8-10H;
InChIKeyRWAKUNGKWXHBMP-UHFFFAOYSA-N
XLogP-0.35
TPSA40.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.97
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze gold;(4-sulfanylphenyl)boronic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of gold;(4-sulfanylphenyl)boronic acid?
The IUPAC name of gold;(4-sulfanylphenyl)boronic acid (CID 175015636) is gold;(4-sulfanylphenyl)boronic acid.
What is the SMILES notation for gold;(4-sulfanylphenyl)boronic acid?
The canonical SMILES for gold;(4-sulfanylphenyl)boronic acid is OB(O)c1ccc(S)cc1.[Au].
What is the InChIKey of gold;(4-sulfanylphenyl)boronic acid?
The InChIKey is RWAKUNGKWXHBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BO2S.Au/c8-7(9)5-1-3-6(10)4-2-5;/h1-4,8-10H;.
What are the key properties of gold;(4-sulfanylphenyl)boronic acid?
gold;(4-sulfanylphenyl)boronic acid has a molecular weight of 350.97 g/mol, XLogP of -0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for gold;(4-sulfanylphenyl)boronic acid is sourced from PubChem (CID 175015636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).