azanide;cobalt;thiocyanic acid

CH3CoN2S- — CID 174602592

IUPACazanide;cobalt;thiocyanic acid
SMILESN#CS.[Co].[NH2-]
InChIInChI=1S/CHNS.Co.H2N/c2-1-3;;/h3H;;1H2/q;;-1
InChIKeyYQKZHBOPWIXHAV-UHFFFAOYSA-N
MW134.05 g/mol
LogP1.11
Rot. Bonds

About azanide;cobalt;thiocyanic acid

azanide;cobalt;thiocyanic acid (PubChem CID 174602592) has the molecular formula CH3CoN2S- and a molecular weight of 134.05 g/mol. Its IUPAC name is azanide;cobalt;thiocyanic acid.

Molecular Properties

Compound Nameazanide;cobalt;thiocyanic acid
PubChem CID174602592
Molecular FormulaCH3CoN2S-
Molecular Weight134.05 g/mol
Exact Mass133.94
IUPAC Nameazanide;cobalt;thiocyanic acid
SMILESN#CS.[Co].[NH2-]
InChIInChI=1S/CHNS.Co.H2N/c2-1-3;;/h3H;;1H2/q;;-1
InChIKeyYQKZHBOPWIXHAV-UHFFFAOYSA-N
XLogP1.11
TPSA57.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.05
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azanide;cobalt;thiocyanic acid?
The IUPAC name of azanide;cobalt;thiocyanic acid (CID 174602592) is azanide;cobalt;thiocyanic acid.
What is the SMILES notation for azanide;cobalt;thiocyanic acid?
The canonical SMILES for azanide;cobalt;thiocyanic acid is N#CS.[Co].[NH2-].
What is the InChIKey of azanide;cobalt;thiocyanic acid?
The InChIKey is YQKZHBOPWIXHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNS.Co.H2N/c2-1-3;;/h3H;;1H2/q;;-1.
What are the key properties of azanide;cobalt;thiocyanic acid?
azanide;cobalt;thiocyanic acid has a molecular weight of 134.05 g/mol, XLogP of 1.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanide;cobalt;thiocyanic acid is sourced from PubChem (CID 174602592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).