1-aminoethanethiol;gold

C2H7AuNS — CID 87377143

IUPAC1-aminoethanethiol;gold
SMILESCC(N)S.[Au]
InChIInChI=1S/C2H7NS.Au/c1-2(3)4;/h2,4H,3H2,1H3;
InChIKeyVEVIWNSEQUWQJJ-UHFFFAOYSA-N
MW274.12 g/mol
LogP0.22
Rot. Bonds

About 1-aminoethanethiol;gold

1-aminoethanethiol;gold (PubChem CID 87377143) has the molecular formula C2H7AuNS and a molecular weight of 274.12 g/mol. Its IUPAC name is 1-aminoethanethiol;gold.

Molecular Properties

Compound Name1-aminoethanethiol;gold
PubChem CID87377143
Molecular FormulaC2H7AuNS
Molecular Weight274.12 g/mol
Exact Mass274.00
IUPAC Name1-aminoethanethiol;gold
SMILESCC(N)S.[Au]
InChIInChI=1S/C2H7NS.Au/c1-2(3)4;/h2,4H,3H2,1H3;
InChIKeyVEVIWNSEQUWQJJ-UHFFFAOYSA-N
XLogP0.22
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-aminoethanethiol;gold?
The IUPAC name of 1-aminoethanethiol;gold (CID 87377143) is 1-aminoethanethiol;gold.
What is the SMILES notation for 1-aminoethanethiol;gold?
The canonical SMILES for 1-aminoethanethiol;gold is CC(N)S.[Au].
What is the InChIKey of 1-aminoethanethiol;gold?
The InChIKey is VEVIWNSEQUWQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NS.Au/c1-2(3)4;/h2,4H,3H2,1H3;.
What are the key properties of 1-aminoethanethiol;gold?
1-aminoethanethiol;gold has a molecular weight of 274.12 g/mol, XLogP of 0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethanethiol;gold is sourced from PubChem (CID 87377143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).