azane;gold;thiocyanic acid

CH4AuN2S — CID 87960821

IUPACazane;gold;thiocyanic acid
SMILESN.N#CS.[Au]
InChIInChI=1S/CHNS.Au.H3N/c2-1-3;;/h3H;;1H3
InChIKeyYPKDXMUXIRQHAU-UHFFFAOYSA-N
MW273.09 g/mol
LogP0.56
Rot. Bonds

About azane;gold;thiocyanic acid

azane;gold;thiocyanic acid (PubChem CID 87960821) has the molecular formula CH4AuN2S and a molecular weight of 273.09 g/mol. Its IUPAC name is azane;gold;thiocyanic acid.

Molecular Properties

Compound Nameazane;gold;thiocyanic acid
PubChem CID87960821
Molecular FormulaCH4AuN2S
Molecular Weight273.09 g/mol
Exact Mass272.98
IUPAC Nameazane;gold;thiocyanic acid
SMILESN.N#CS.[Au]
InChIInChI=1S/CHNS.Au.H3N/c2-1-3;;/h3H;;1H3
InChIKeyYPKDXMUXIRQHAU-UHFFFAOYSA-N
XLogP0.56
TPSA58.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 87140059
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CID 175305426
calcium;hydride;thiocyanic acid
CID 173280963
trisodium;hydride;thiocyanic acid
CID 174868626
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CID 172734142
lithium;hydride;hydron;thiocyanic acid
CID 174838780
methanol;thiocyanic acid;dihydrochloride
CID 172721148
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CID 174403068

Frequently Asked Questions

What is the IUPAC name of azane;gold;thiocyanic acid?
The IUPAC name of azane;gold;thiocyanic acid (CID 87960821) is azane;gold;thiocyanic acid.
What is the SMILES notation for azane;gold;thiocyanic acid?
The canonical SMILES for azane;gold;thiocyanic acid is N.N#CS.[Au].
What is the InChIKey of azane;gold;thiocyanic acid?
The InChIKey is YPKDXMUXIRQHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNS.Au.H3N/c2-1-3;;/h3H;;1H3.
What are the key properties of azane;gold;thiocyanic acid?
azane;gold;thiocyanic acid has a molecular weight of 273.09 g/mol, XLogP of 0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;gold;thiocyanic acid is sourced from PubChem (CID 87960821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).