sodium;azane;hydride;thiocyanic acid

C3H7N4NaS3 — CID 173357329

IUPACsodium;azane;hydride;thiocyanic acid
SMILESN.N#CS.N#CS.N#CS.[H-].[Na+]
InChIInChI=1S/3CHNS.H3N.Na.H/c3*2-1-3;;;/h3*3H;1H3;;/q;;;;+1;-1
InChIKeyWHWZOVSDLYNWRL-UHFFFAOYSA-N
MW218.31 g/mol
LogP-1.53
Rot. Bonds

About sodium;azane;hydride;thiocyanic acid

sodium;azane;hydride;thiocyanic acid (PubChem CID 173357329) has the molecular formula C3H7N4NaS3 and a molecular weight of 218.31 g/mol. Its IUPAC name is sodium;azane;hydride;thiocyanic acid.

Molecular Properties

Compound Namesodium;azane;hydride;thiocyanic acid
PubChem CID173357329
Molecular FormulaC3H7N4NaS3
Molecular Weight218.31 g/mol
Exact Mass217.97
IUPAC Namesodium;azane;hydride;thiocyanic acid
SMILESN.N#CS.N#CS.N#CS.[H-].[Na+]
InChIInChI=1S/3CHNS.H3N.Na.H/c3*2-1-3;;;/h3*3H;1H3;;/q;;;;+1;-1
InChIKeyWHWZOVSDLYNWRL-UHFFFAOYSA-N
XLogP-1.53
TPSA106.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.31
LogP ≤ 5-1.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;azane;hydride;thiocyanic acid?
The IUPAC name of sodium;azane;hydride;thiocyanic acid (CID 173357329) is sodium;azane;hydride;thiocyanic acid.
What is the SMILES notation for sodium;azane;hydride;thiocyanic acid?
The canonical SMILES for sodium;azane;hydride;thiocyanic acid is N.N#CS.N#CS.N#CS.[H-].[Na+].
What is the InChIKey of sodium;azane;hydride;thiocyanic acid?
The InChIKey is WHWZOVSDLYNWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/3CHNS.H3N.Na.H/c3*2-1-3;;;/h3*3H;1H3;;/q;;;;+1;-1.
What are the key properties of sodium;azane;hydride;thiocyanic acid?
sodium;azane;hydride;thiocyanic acid has a molecular weight of 218.31 g/mol, XLogP of -1.53, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;azane;hydride;thiocyanic acid is sourced from PubChem (CID 173357329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).