azane;cobalt;thiocyanate

CH3CoN2S- — CID 175155305

IUPACazane;cobalt;thiocyanate
SMILESN.N#C[S-].[Co]
InChIInChI=1S/CHNS.Co.H3N/c2-1-3;;/h3H;;1H3/p-1
InChIKeySVRSEHNKNVARQT-UHFFFAOYSA-M
MW134.05 g/mol
LogP0.17
Rot. Bonds

About azane;cobalt;thiocyanate

azane;cobalt;thiocyanate (PubChem CID 175155305) has the molecular formula CH3CoN2S- and a molecular weight of 134.05 g/mol. Its IUPAC name is azane;cobalt;thiocyanate.

Molecular Properties

Compound Nameazane;cobalt;thiocyanate
PubChem CID175155305
Molecular FormulaCH3CoN2S-
Molecular Weight134.05 g/mol
Exact Mass133.94
IUPAC Nameazane;cobalt;thiocyanate
SMILESN.N#C[S-].[Co]
InChIInChI=1S/CHNS.Co.H3N/c2-1-3;;/h3H;;1H3/p-1
InChIKeySVRSEHNKNVARQT-UHFFFAOYSA-M
XLogP0.17
TPSA58.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.05
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

Azanium;cobalt(2+);thiocyanate
CID 18781876
Azanium;cobalt;thiocyanate
CID 57372120
Amino thiocyanate;cobalt
CID 87650995
Azanide;cobalt(2+);thiocyanate
CID 129631593
Azane;cobalt(2+);thiocyanate
CID 172678705
Azanide;cobalt;thiocyanic acid
CID 174602592
Azane thiocyanate
CID 19922763
CID 71299520
CID 71299520

Frequently Asked Questions

What is the IUPAC name of azane;cobalt;thiocyanate?
The IUPAC name of azane;cobalt;thiocyanate (CID 175155305) is azane;cobalt;thiocyanate.
What is the SMILES notation for azane;cobalt;thiocyanate?
The canonical SMILES for azane;cobalt;thiocyanate is N.N#C[S-].[Co].
What is the InChIKey of azane;cobalt;thiocyanate?
The InChIKey is SVRSEHNKNVARQT-UHFFFAOYSA-M. The full InChI is InChI=1S/CHNS.Co.H3N/c2-1-3;;/h3H;;1H3/p-1.
What are the key properties of azane;cobalt;thiocyanate?
azane;cobalt;thiocyanate has a molecular weight of 134.05 g/mol, XLogP of 0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;cobalt;thiocyanate is sourced from PubChem (CID 175155305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).