azanium;cobalt(2+);thiocyanate

CH4CoN2S+2 — CID 18781876

IUPACazanium;cobalt(2+);thiocyanate
SMILESN#C[S-].[Co+2].[NH4+]
InChIInChI=1S/CHNS.Co.H3N/c2-1-3;;/h3H;;1H3/q;+2;
InChIKeyACAYMSJCVRWUAO-UHFFFAOYSA-N
MW135.06 g/mol
LogP0.39
Rot. Bonds

About azanium;cobalt(2+);thiocyanate

azanium;cobalt(2+);thiocyanate (PubChem CID 18781876) has the molecular formula CH4CoN2S+2 and a molecular weight of 135.06 g/mol. Its IUPAC name is azanium;cobalt(2+);thiocyanate.

Molecular Properties

Compound Nameazanium;cobalt(2+);thiocyanate
PubChem CID18781876
Molecular FormulaCH4CoN2S+2
Molecular Weight135.06 g/mol
Exact Mass134.94
IUPAC Nameazanium;cobalt(2+);thiocyanate
SMILESN#C[S-].[Co+2].[NH4+]
InChIInChI=1S/CHNS.Co.H3N/c2-1-3;;/h3H;;1H3/q;+2;
InChIKeyACAYMSJCVRWUAO-UHFFFAOYSA-N
XLogP0.39
TPSA60.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.06
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 azanium;cobalt(2+);thiocyanate?
The IUPAC name of azanium;cobalt(2+);thiocyanate (CID 18781876) is azanium;cobalt(2+);thiocyanate.
What is the SMILES notation for azanium;cobalt(2+);thiocyanate?
The canonical SMILES for azanium;cobalt(2+);thiocyanate is N#C[S-].[Co+2].[NH4+].
What is the InChIKey of azanium;cobalt(2+);thiocyanate?
The InChIKey is ACAYMSJCVRWUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNS.Co.H3N/c2-1-3;;/h3H;;1H3/q;+2;.
What are the key properties of azanium;cobalt(2+);thiocyanate?
azanium;cobalt(2+);thiocyanate has a molecular weight of 135.06 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;cobalt(2+);thiocyanate is sourced from PubChem (CID 18781876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).