azane;thiocyanic acid;zinc

CH4N2SZn — CID 88760762

IUPACazane;thiocyanic acid;zinc
SMILESN.N#CS.[Zn]
InChIInChI=1S/CHNS.H3N.Zn/c2-1-3;;/h3H;1H3;
InChIKeyBSQGPYCMKJXIQY-UHFFFAOYSA-N
MW141.51 g/mol
LogP0.56
Rot. Bonds

About azane;thiocyanic acid;zinc

azane;thiocyanic acid;zinc (PubChem CID 88760762) has the molecular formula CH4N2SZn and a molecular weight of 141.51 g/mol. Its IUPAC name is azane;thiocyanic acid;zinc.

Molecular Properties

Compound Nameazane;thiocyanic acid;zinc
PubChem CID88760762
Molecular FormulaCH4N2SZn
Molecular Weight141.51 g/mol
Exact Mass139.94
IUPAC Nameazane;thiocyanic acid;zinc
SMILESN.N#CS.[Zn]
InChIInChI=1S/CHNS.H3N.Zn/c2-1-3;;/h3H;1H3;
InChIKeyBSQGPYCMKJXIQY-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 ≤ 500141.51
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azane;thiocyanic acid;zinc?
The IUPAC name of azane;thiocyanic acid;zinc (CID 88760762) is azane;thiocyanic acid;zinc.
What is the SMILES notation for azane;thiocyanic acid;zinc?
The canonical SMILES for azane;thiocyanic acid;zinc is N.N#CS.[Zn].
What is the InChIKey of azane;thiocyanic acid;zinc?
The InChIKey is BSQGPYCMKJXIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNS.H3N.Zn/c2-1-3;;/h3H;1H3;.
What are the key properties of azane;thiocyanic acid;zinc?
azane;thiocyanic acid;zinc has a molecular weight of 141.51 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;thiocyanic acid;zinc is sourced from PubChem (CID 88760762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).