azane;cobalt;thiocyanic acid

CH19CoN7S — CID 173339149

IUPACazane;cobalt;thiocyanic acid
SMILESN.N.N.N.N.N.N#CS.[Co]
InChIInChI=1S/CHNS.Co.6H3N/c2-1-3;;;;;;;/h3H;;6*1H3
InChIKeyDYDOFNMOBVMFRP-UHFFFAOYSA-N
MW220.21 g/mol
LogP1.37
Rot. Bonds

About azane;cobalt;thiocyanic acid

azane;cobalt;thiocyanic acid (PubChem CID 173339149) has the molecular formula CH19CoN7S and a molecular weight of 220.21 g/mol. Its IUPAC name is azane;cobalt;thiocyanic acid.

Molecular Properties

Compound Nameazane;cobalt;thiocyanic acid
PubChem CID173339149
Molecular FormulaCH19CoN7S
Molecular Weight220.21 g/mol
Exact Mass220.08
IUPAC Nameazane;cobalt;thiocyanic acid
SMILESN.N.N.N.N.N.N#CS.[Co]
InChIInChI=1S/CHNS.Co.6H3N/c2-1-3;;;;;;;/h3H;;6*1H3
InChIKeyDYDOFNMOBVMFRP-UHFFFAOYSA-N
XLogP1.37
TPSA233.79 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.21
LogP ≤ 51.37
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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CID 87960821
azane;thiocyanic acid;zinc
CID 88760762
azane;hydron;thiocyanic acid
CID 174791541
octanonacontasodium;thiocyanic acid
CID 173362917
molybdenum;thiocyanic acid
CID 87140059
methane;thiocyanic acid
CID 175305426
calcium;hydride;thiocyanic acid
CID 173280963
trisodium;hydride;thiocyanic acid
CID 174868626
thiocyanic acid;hydrochloride;hydroiodide
CID 172734142
lithium;hydride;hydron;thiocyanic acid
CID 174838780
methanol;thiocyanic acid;dihydrochloride
CID 172721148
azane;cobalt;thiocyanate
CID 175155305

Frequently Asked Questions

What is the IUPAC name of azane;cobalt;thiocyanic acid?
The IUPAC name of azane;cobalt;thiocyanic acid (CID 173339149) is azane;cobalt;thiocyanic acid.
What is the SMILES notation for azane;cobalt;thiocyanic acid?
The canonical SMILES for azane;cobalt;thiocyanic acid is N.N.N.N.N.N.N#CS.[Co].
What is the InChIKey of azane;cobalt;thiocyanic acid?
The InChIKey is DYDOFNMOBVMFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNS.Co.6H3N/c2-1-3;;;;;;;/h3H;;6*1H3.
What are the key properties of azane;cobalt;thiocyanic acid?
azane;cobalt;thiocyanic acid has a molecular weight of 220.21 g/mol, XLogP of 1.37, 0 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azane;cobalt;thiocyanic acid is sourced from PubChem (CID 173339149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).