azanium;cobalt;thiocyanate

CH4CoN2S — CID 57372120

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

About azanium;cobalt;thiocyanate

azanium;cobalt;thiocyanate (PubChem CID 57372120) has the molecular formula CH4CoN2S and a molecular weight of 135.06 g/mol. Its IUPAC name is azanium;cobalt;thiocyanate.

Molecular Properties

Compound Nameazanium;cobalt;thiocyanate
PubChem CID57372120
Molecular FormulaCH4CoN2S
Molecular Weight135.06 g/mol
Exact Mass134.94
IUPAC Nameazanium;cobalt;thiocyanate
SMILESN#C[S-].[Co].[NH4+]
InChIInChI=1S/CHNS.Co.H3N/c2-1-3;;/h3H;;1H3
InChIKeySVRSEHNKNVARQT-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'}

Analyze azanium;cobalt;thiocyanate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azanium;cobalt;thiocyanate?
The IUPAC name of azanium;cobalt;thiocyanate (CID 57372120) is azanium;cobalt;thiocyanate.
What is the SMILES notation for azanium;cobalt;thiocyanate?
The canonical SMILES for azanium;cobalt;thiocyanate is N#C[S-].[Co].[NH4+].
What is the InChIKey of azanium;cobalt;thiocyanate?
The InChIKey is SVRSEHNKNVARQT-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNS.Co.H3N/c2-1-3;;/h3H;;1H3.
What are the key properties of azanium;cobalt;thiocyanate?
azanium;cobalt;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;thiocyanate is sourced from PubChem (CID 57372120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).