2-aminoethanethiol;gold

C2H7AuNS — CID 87377140

IUPAC2-aminoethanethiol;gold
SMILESNCCS.[Au]
InChIInChI=1S/C2H7NS.Au/c3-1-2-4;/h4H,1-3H2;
InChIKeyLOXOVRJRRDEDPX-UHFFFAOYSA-N
MW274.12 g/mol
LogP-0.13
Rot. Bonds1

About 2-aminoethanethiol;gold

2-aminoethanethiol;gold (PubChem CID 87377140) has the molecular formula C2H7AuNS and a molecular weight of 274.12 g/mol. Its IUPAC name is 2-aminoethanethiol;gold.

Molecular Properties

Compound Name2-aminoethanethiol;gold
PubChem CID87377140
Molecular FormulaC2H7AuNS
Molecular Weight274.12 g/mol
Exact Mass274.00
IUPAC Name2-aminoethanethiol;gold
SMILESNCCS.[Au]
InChIInChI=1S/C2H7NS.Au/c3-1-2-4;/h4H,1-3H2;
InChIKeyLOXOVRJRRDEDPX-UHFFFAOYSA-N
XLogP-0.13
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanethiol;gold?
The IUPAC name of 2-aminoethanethiol;gold (CID 87377140) is 2-aminoethanethiol;gold.
What is the SMILES notation for 2-aminoethanethiol;gold?
The canonical SMILES for 2-aminoethanethiol;gold is NCCS.[Au].
What is the InChIKey of 2-aminoethanethiol;gold?
The InChIKey is LOXOVRJRRDEDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NS.Au/c3-1-2-4;/h4H,1-3H2;.
What are the key properties of 2-aminoethanethiol;gold?
2-aminoethanethiol;gold has a molecular weight of 274.12 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanethiol;gold is sourced from PubChem (CID 87377140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).