2-aminobenzenethiolate;gold(1+);triethylphosphane

C12H21AuNPS — CID 163795824

IUPAC2-aminobenzenethiolate;gold(1+);triethylphosphane
SMILESCCP(CC)CC.Nc1ccccc1[S-].[Au+]
InChIInChI=1S/C6H7NS.C6H15P.Au/c7-5-3-1-2-4-6(5)8;1-4-7(5-2)6-3;/h1-4,8H,7H2;4-6H2,1-3H3;/q;;+1/p-1
InChIKeyNARIPAMZTRTXAT-UHFFFAOYSA-M
MW439.32 g/mol
LogP3.70
Rot. Bonds3

About 2-aminobenzenethiolate;gold(1+);triethylphosphane

2-aminobenzenethiolate;gold(1+);triethylphosphane (PubChem CID 163795824) has the molecular formula C12H21AuNPS and a molecular weight of 439.32 g/mol. Its IUPAC name is 2-aminobenzenethiolate;gold(1+);triethylphosphane.

Molecular Properties

Compound Name2-aminobenzenethiolate;gold(1+);triethylphosphane
PubChem CID163795824
Molecular FormulaC12H21AuNPS
Molecular Weight439.32 g/mol
Exact Mass439.08
IUPAC Name2-aminobenzenethiolate;gold(1+);triethylphosphane
SMILESCCP(CC)CC.Nc1ccccc1[S-].[Au+]
InChIInChI=1S/C6H7NS.C6H15P.Au/c7-5-3-1-2-4-6(5)8;1-4-7(5-2)6-3;/h1-4,8H,7H2;4-6H2,1-3H3;/q;;+1/p-1
InChIKeyNARIPAMZTRTXAT-UHFFFAOYSA-M
XLogP3.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

Analyze 2-aminobenzenethiolate;gold(1+);triethylphosphane 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 2-aminobenzenethiolate;gold(1+);triethylphosphane?
The IUPAC name of 2-aminobenzenethiolate;gold(1+);triethylphosphane (CID 163795824) is 2-aminobenzenethiolate;gold(1+);triethylphosphane.
What is the SMILES notation for 2-aminobenzenethiolate;gold(1+);triethylphosphane?
The canonical SMILES for 2-aminobenzenethiolate;gold(1+);triethylphosphane is CCP(CC)CC.Nc1ccccc1[S-].[Au+].
What is the InChIKey of 2-aminobenzenethiolate;gold(1+);triethylphosphane?
The InChIKey is NARIPAMZTRTXAT-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7NS.C6H15P.Au/c7-5-3-1-2-4-6(5)8;1-4-7(5-2)6-3;/h1-4,8H,7H2;4-6H2,1-3H3;/q;;+1/p-1.
What are the key properties of 2-aminobenzenethiolate;gold(1+);triethylphosphane?
2-aminobenzenethiolate;gold(1+);triethylphosphane has a molecular weight of 439.32 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzenethiolate;gold(1+);triethylphosphane is sourced from PubChem (CID 163795824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).