isothiocyanic acid;ruthenium

CHNRuS — CID 89239373

IUPACisothiocyanic acid;ruthenium
SMILESN=C=S.[Ru]
InChIInChI=1S/CHNS.Ru/c2-1-3;/h2H;
InChIKeyMPNRKSKOINATCM-UHFFFAOYSA-N
MW160.16 g/mol
LogP0.67
Rot. Bonds

About isothiocyanic acid;ruthenium

isothiocyanic acid;ruthenium (PubChem CID 89239373) has the molecular formula CHNRuS and a molecular weight of 160.16 g/mol. Its IUPAC name is isothiocyanic acid;ruthenium.

Molecular Properties

Compound Nameisothiocyanic acid;ruthenium
PubChem CID89239373
Molecular FormulaCHNRuS
Molecular Weight160.16 g/mol
Exact Mass160.89
IUPAC Nameisothiocyanic acid;ruthenium
SMILESN=C=S.[Ru]
InChIInChI=1S/CHNS.Ru/c2-1-3;/h2H;
InChIKeyMPNRKSKOINATCM-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 ≤ 500160.16
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 isothiocyanic acid;ruthenium?
The IUPAC name of isothiocyanic acid;ruthenium (CID 89239373) is isothiocyanic acid;ruthenium.
What is the SMILES notation for isothiocyanic acid;ruthenium?
The canonical SMILES for isothiocyanic acid;ruthenium is N=C=S.[Ru].
What is the InChIKey of isothiocyanic acid;ruthenium?
The InChIKey is MPNRKSKOINATCM-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNS.Ru/c2-1-3;/h2H;.
What are the key properties of isothiocyanic acid;ruthenium?
isothiocyanic acid;ruthenium has a molecular weight of 160.16 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 isothiocyanic acid;ruthenium is sourced from PubChem (CID 89239373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).