disodium;hydroxide;thiocyanate

CHNNa2OS — CID 138857758

IUPACdisodium;hydroxide;thiocyanate
SMILESN#C[S-].[Na+].[Na+].[OH-]
InChIInChI=1S/CHNS.2Na.H2O/c2-1-3;;;/h3H;;;1H2/q;2*+1;/p-2
InChIKeyGLMJCZACJVFBGU-UHFFFAOYSA-L
MW121.07 g/mol
LogP-6.15
Rot. Bonds

About disodium;hydroxide;thiocyanate

disodium;hydroxide;thiocyanate (PubChem CID 138857758) has the molecular formula CHNNa2OS and a molecular weight of 121.07 g/mol. Its IUPAC name is disodium;hydroxide;thiocyanate.

Molecular Properties

Compound Namedisodium;hydroxide;thiocyanate
PubChem CID138857758
Molecular FormulaCHNNa2OS
Molecular Weight121.07 g/mol
Exact Mass120.96
IUPAC Namedisodium;hydroxide;thiocyanate
SMILESN#C[S-].[Na+].[Na+].[OH-]
InChIInChI=1S/CHNS.2Na.H2O/c2-1-3;;;/h3H;;;1H2/q;2*+1;/p-2
InChIKeyGLMJCZACJVFBGU-UHFFFAOYSA-L
XLogP-6.15
TPSA53.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.07
LogP ≤ 5-6.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze disodium;hydroxide;thiocyanate with MolForge

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

Launch Full Analysis

Related Compounds

Sodium;thiocyanate;hydrate
CID 129681173

Frequently Asked Questions

What is the IUPAC name of disodium;hydroxide;thiocyanate?
The IUPAC name of disodium;hydroxide;thiocyanate (CID 138857758) is disodium;hydroxide;thiocyanate.
What is the SMILES notation for disodium;hydroxide;thiocyanate?
The canonical SMILES for disodium;hydroxide;thiocyanate is N#C[S-].[Na+].[Na+].[OH-].
What is the InChIKey of disodium;hydroxide;thiocyanate?
The InChIKey is GLMJCZACJVFBGU-UHFFFAOYSA-L. The full InChI is InChI=1S/CHNS.2Na.H2O/c2-1-3;;;/h3H;;;1H2/q;2*+1;/p-2.
What are the key properties of disodium;hydroxide;thiocyanate?
disodium;hydroxide;thiocyanate has a molecular weight of 121.07 g/mol, XLogP of -6.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydroxide;thiocyanate is sourced from PubChem (CID 138857758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).