sodium;cobalt;hydride;isothiocyanic acid

CH2CoNNaS — CID 173129764

IUPACsodium;cobalt;hydride;isothiocyanic acid
SMILESN=C=S.[Co].[H-].[Na+]
InChIInChI=1S/CHNS.Co.Na.H/c2-1-3;;;/h2H;;;/q;;+1;-1
InChIKeyXEXQUOOJOSXEGD-UHFFFAOYSA-N
MW142.02 g/mol
LogP-2.22
Rot. Bonds

About sodium;cobalt;hydride;isothiocyanic acid

sodium;cobalt;hydride;isothiocyanic acid (PubChem CID 173129764) has the molecular formula CH2CoNNaS and a molecular weight of 142.02 g/mol. Its IUPAC name is sodium;cobalt;hydride;isothiocyanic acid.

Molecular Properties

Compound Namesodium;cobalt;hydride;isothiocyanic acid
PubChem CID173129764
Molecular FormulaCH2CoNNaS
Molecular Weight142.02 g/mol
Exact Mass141.91
IUPAC Namesodium;cobalt;hydride;isothiocyanic acid
SMILESN=C=S.[Co].[H-].[Na+]
InChIInChI=1S/CHNS.Co.Na.H/c2-1-3;;;/h2H;;;/q;;+1;-1
InChIKeyXEXQUOOJOSXEGD-UHFFFAOYSA-N
XLogP-2.22
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.02
LogP ≤ 5-2.22
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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Related Compounds

isothiocyanic acid;methane
CID 173005239
carbanide;isothiocyanic acid;rhodium
CID 87872236
cyclopropane;isothiocyanic acid
CID 160696657
sodium;cobalt;isothiocyanate
CID 87658497
isothiocyanic acid;phosphoric acid
CID 87093486
isocyanic acid;isothiocyanic acid;1,3,5-triazine
CID 173352861
methanediimine;sulfur monoxide
CID 173434188
methanediimine
CID 161145332
isothiocyanic acid;methylcyclohexane
CID 87440349
isothiocyanic acid;methylcyclohexane
CID 87092956
isothiocyanic acid;toluene
CID 87226485
calcium;hydride;sulfanylidenemethanone
CID 173323825

Frequently Asked Questions

What is the IUPAC name of sodium;cobalt;hydride;isothiocyanic acid?
The IUPAC name of sodium;cobalt;hydride;isothiocyanic acid (CID 173129764) is sodium;cobalt;hydride;isothiocyanic acid.
What is the SMILES notation for sodium;cobalt;hydride;isothiocyanic acid?
The canonical SMILES for sodium;cobalt;hydride;isothiocyanic acid is N=C=S.[Co].[H-].[Na+].
What is the InChIKey of sodium;cobalt;hydride;isothiocyanic acid?
The InChIKey is XEXQUOOJOSXEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNS.Co.Na.H/c2-1-3;;;/h2H;;;/q;;+1;-1.
What are the key properties of sodium;cobalt;hydride;isothiocyanic acid?
sodium;cobalt;hydride;isothiocyanic acid has a molecular weight of 142.02 g/mol, XLogP of -2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;cobalt;hydride;isothiocyanic acid is sourced from PubChem (CID 173129764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).