sodium;cobalt;isothiocyanate

CCoNNaS — CID 87658497

IUPACsodium;cobalt;isothiocyanate
SMILES[Co].[N-]=C=S.[Na+]
InChIInChI=1S/CNS.Co.Na/c2-1-3;;/q-1;;+1
InChIKeyHHCQJIALLABGDO-UHFFFAOYSA-N
MW140.01 g/mol
LogP-2.34
Rot. Bonds

About sodium;cobalt;isothiocyanate

sodium;cobalt;isothiocyanate (PubChem CID 87658497) has the molecular formula CCoNNaS and a molecular weight of 140.01 g/mol. Its IUPAC name is sodium;cobalt;isothiocyanate.

Molecular Properties

Compound Namesodium;cobalt;isothiocyanate
PubChem CID87658497
Molecular FormulaCCoNNaS
Molecular Weight140.01 g/mol
Exact Mass139.90
IUPAC Namesodium;cobalt;isothiocyanate
SMILES[Co].[N-]=C=S.[Na+]
InChIInChI=1S/CNS.Co.Na/c2-1-3;;/q-1;;+1
InChIKeyHHCQJIALLABGDO-UHFFFAOYSA-N
XLogP-2.34
TPSA22.30 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.01
LogP ≤ 5-2.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 sodium;cobalt;isothiocyanate?
The IUPAC name of sodium;cobalt;isothiocyanate (CID 87658497) is sodium;cobalt;isothiocyanate.
What is the SMILES notation for sodium;cobalt;isothiocyanate?
The canonical SMILES for sodium;cobalt;isothiocyanate is [Co].[N-]=C=S.[Na+].
What is the InChIKey of sodium;cobalt;isothiocyanate?
The InChIKey is HHCQJIALLABGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/CNS.Co.Na/c2-1-3;;/q-1;;+1.
What are the key properties of sodium;cobalt;isothiocyanate?
sodium;cobalt;isothiocyanate has a molecular weight of 140.01 g/mol, XLogP of -2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;cobalt;isothiocyanate is sourced from PubChem (CID 87658497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).