2-aminobenzenethiol;gold

C6H7AuNS — CID 90301635

IUPAC2-aminobenzenethiol;gold
SMILESNc1ccccc1S.[Au]
InChIInChI=1S/C6H7NS.Au/c7-5-3-1-2-4-6(5)8;/h1-4,8H,7H2;
InChIKeyHRBMEPMLYZZHKC-UHFFFAOYSA-N
MW322.16 g/mol
LogP1.55
Rot. Bonds

About 2-aminobenzenethiol;gold

2-aminobenzenethiol;gold (PubChem CID 90301635) has the molecular formula C6H7AuNS and a molecular weight of 322.16 g/mol. Its IUPAC name is 2-aminobenzenethiol;gold.

Molecular Properties

Compound Name2-aminobenzenethiol;gold
PubChem CID90301635
Molecular FormulaC6H7AuNS
Molecular Weight322.16 g/mol
Exact Mass322.00
IUPAC Name2-aminobenzenethiol;gold
SMILESNc1ccccc1S.[Au]
InChIInChI=1S/C6H7NS.Au/c7-5-3-1-2-4-6(5)8;/h1-4,8H,7H2;
InChIKeyHRBMEPMLYZZHKC-UHFFFAOYSA-N
XLogP1.55
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminobenzenethiol;gold?
The IUPAC name of 2-aminobenzenethiol;gold (CID 90301635) is 2-aminobenzenethiol;gold.
What is the SMILES notation for 2-aminobenzenethiol;gold?
The canonical SMILES for 2-aminobenzenethiol;gold is Nc1ccccc1S.[Au].
What is the InChIKey of 2-aminobenzenethiol;gold?
The InChIKey is HRBMEPMLYZZHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS.Au/c7-5-3-1-2-4-6(5)8;/h1-4,8H,7H2;.
What are the key properties of 2-aminobenzenethiol;gold?
2-aminobenzenethiol;gold has a molecular weight of 322.16 g/mol, XLogP of 1.55, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzenethiol;gold is sourced from PubChem (CID 90301635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).