amino thiocyanate;cobalt

CH2CoN2S — CID 87650995

IUPACamino thiocyanate;cobalt
SMILESN#CSN.[Co]
InChIInChI=1S/CH2N2S.Co/c2-1-4-3;/h3H2;
InChIKeyAWJDOFVIQHEGEW-UHFFFAOYSA-N
MW133.04 g/mol
LogP0.07
Rot. Bonds

About amino thiocyanate;cobalt

amino thiocyanate;cobalt (PubChem CID 87650995) has the molecular formula CH2CoN2S and a molecular weight of 133.04 g/mol. Its IUPAC name is amino thiocyanate;cobalt.

Molecular Properties

Compound Nameamino thiocyanate;cobalt
PubChem CID87650995
Molecular FormulaCH2CoN2S
Molecular Weight133.04 g/mol
Exact Mass132.93
IUPAC Nameamino thiocyanate;cobalt
SMILESN#CSN.[Co]
InChIInChI=1S/CH2N2S.Co/c2-1-4-3;/h3H2;
InChIKeyAWJDOFVIQHEGEW-UHFFFAOYSA-N
XLogP0.07
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.04
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of amino thiocyanate;cobalt?
The IUPAC name of amino thiocyanate;cobalt (CID 87650995) is amino thiocyanate;cobalt.
What is the SMILES notation for amino thiocyanate;cobalt?
The canonical SMILES for amino thiocyanate;cobalt is N#CSN.[Co].
What is the InChIKey of amino thiocyanate;cobalt?
The InChIKey is AWJDOFVIQHEGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2N2S.Co/c2-1-4-3;/h3H2;.
What are the key properties of amino thiocyanate;cobalt?
amino thiocyanate;cobalt has a molecular weight of 133.04 g/mol, XLogP of 0.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino thiocyanate;cobalt is sourced from PubChem (CID 87650995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).