isothiocyanic acid;silver

CHAgNS — CID 87256712

IUPACisothiocyanic acid;silver
SMILESN=C=S.[Ag]
InChIInChI=1S/CHNS.Ag/c2-1-3;/h2H;
InChIKeyDESZGEXQFZDWTD-UHFFFAOYSA-N
MW166.96 g/mol
LogP0.67
Rot. Bonds

About isothiocyanic acid;silver

isothiocyanic acid;silver (PubChem CID 87256712) has the molecular formula CHAgNS and a molecular weight of 166.96 g/mol. Its IUPAC name is isothiocyanic acid;silver.

Molecular Properties

Compound Nameisothiocyanic acid;silver
PubChem CID87256712
Molecular FormulaCHAgNS
Molecular Weight166.96 g/mol
Exact Mass165.89
IUPAC Nameisothiocyanic acid;silver
SMILESN=C=S.[Ag]
InChIInChI=1S/CHNS.Ag/c2-1-3;/h2H;
InChIKeyDESZGEXQFZDWTD-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 ≤ 500166.96
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'}

Analyze isothiocyanic acid;silver with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of isothiocyanic acid;silver?
The IUPAC name of isothiocyanic acid;silver (CID 87256712) is isothiocyanic acid;silver.
What is the SMILES notation for isothiocyanic acid;silver?
The canonical SMILES for isothiocyanic acid;silver is N=C=S.[Ag].
What is the InChIKey of isothiocyanic acid;silver?
The InChIKey is DESZGEXQFZDWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNS.Ag/c2-1-3;/h2H;.
What are the key properties of isothiocyanic acid;silver?
isothiocyanic acid;silver has a molecular weight of 166.96 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;silver is sourced from PubChem (CID 87256712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).