cobalt;isothiocyanic acid

CHCoNS — CID 87926046

IUPACcobalt;isothiocyanic acid
SMILESN=C=S.[Co]
InChIInChI=1S/CHNS.Co/c2-1-3;/h2H;
InChIKeyIFJUNJGCBBRGSI-UHFFFAOYSA-N
MW118.03 g/mol
LogP0.67
Rot. Bonds

About cobalt;isothiocyanic acid

cobalt;isothiocyanic acid (PubChem CID 87926046) has the molecular formula CHCoNS and a molecular weight of 118.03 g/mol. Its IUPAC name is cobalt;isothiocyanic acid.

Molecular Properties

Compound Namecobalt;isothiocyanic acid
PubChem CID87926046
Molecular FormulaCHCoNS
Molecular Weight118.03 g/mol
Exact Mass117.92
IUPAC Namecobalt;isothiocyanic acid
SMILESN=C=S.[Co]
InChIInChI=1S/CHNS.Co/c2-1-3;/h2H;
InChIKeyIFJUNJGCBBRGSI-UHFFFAOYSA-N
XLogP0.67
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.03
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cobalt;isothiocyanic acid?
The IUPAC name of cobalt;isothiocyanic acid (CID 87926046) is cobalt;isothiocyanic acid.
What is the SMILES notation for cobalt;isothiocyanic acid?
The canonical SMILES for cobalt;isothiocyanic acid is N=C=S.[Co].
What is the InChIKey of cobalt;isothiocyanic acid?
The InChIKey is IFJUNJGCBBRGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNS.Co/c2-1-3;/h2H;.
What are the key properties of cobalt;isothiocyanic acid?
cobalt;isothiocyanic acid has a molecular weight of 118.03 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;isothiocyanic acid is sourced from PubChem (CID 87926046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).