azane;cobalt(2+);thiocyanate

CH3CoN2S+ — CID 172678705

IUPACazane;cobalt(2+);thiocyanate
SMILESN.N#C[S-].[Co+2]
InChIInChI=1S/CHNS.Co.H3N/c2-1-3;;/h3H;;1H3/q;+2;/p-1
InChIKeyACAYMSJCVRWUAO-UHFFFAOYSA-M
MW134.05 g/mol
LogP0.17
Rot. Bonds

About azane;cobalt(2+);thiocyanate

azane;cobalt(2+);thiocyanate (PubChem CID 172678705) has the molecular formula CH3CoN2S+ and a molecular weight of 134.05 g/mol. Its IUPAC name is azane;cobalt(2+);thiocyanate.

Molecular Properties

Compound Nameazane;cobalt(2+);thiocyanate
PubChem CID172678705
Molecular FormulaCH3CoN2S+
Molecular Weight134.05 g/mol
Exact Mass133.93
IUPAC Nameazane;cobalt(2+);thiocyanate
SMILESN.N#C[S-].[Co+2]
InChIInChI=1S/CHNS.Co.H3N/c2-1-3;;/h3H;;1H3/q;+2;/p-1
InChIKeyACAYMSJCVRWUAO-UHFFFAOYSA-M
XLogP0.17
TPSA58.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.05
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;cobalt(2+);thiocyanate?
The IUPAC name of azane;cobalt(2+);thiocyanate (CID 172678705) is azane;cobalt(2+);thiocyanate.
What is the SMILES notation for azane;cobalt(2+);thiocyanate?
The canonical SMILES for azane;cobalt(2+);thiocyanate is N.N#C[S-].[Co+2].
What is the InChIKey of azane;cobalt(2+);thiocyanate?
The InChIKey is ACAYMSJCVRWUAO-UHFFFAOYSA-M. The full InChI is InChI=1S/CHNS.Co.H3N/c2-1-3;;/h3H;;1H3/q;+2;/p-1.
What are the key properties of azane;cobalt(2+);thiocyanate?
azane;cobalt(2+);thiocyanate has a molecular weight of 134.05 g/mol, XLogP of 0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;cobalt(2+);thiocyanate is sourced from PubChem (CID 172678705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).