sodium;hydride;thiocyanic acid;dihydrate

CH6NNaO2S — CID 173146207

IUPACsodium;hydride;thiocyanic acid;dihydrate
SMILESN#CS.O.O.[H-].[Na+]
InChIInChI=1S/CHNS.Na.2H2O.H/c2-1-3;;;;/h3H;;2*1H2;/q;+1;;;-1
InChIKeyXOMUBMWSACCELM-UHFFFAOYSA-N
MW119.12 g/mol
LogP-4.14
Rot. Bonds

About sodium;hydride;thiocyanic acid;dihydrate

sodium;hydride;thiocyanic acid;dihydrate (PubChem CID 173146207) has the molecular formula CH6NNaO2S and a molecular weight of 119.12 g/mol. Its IUPAC name is sodium;hydride;thiocyanic acid;dihydrate.

Molecular Properties

Compound Namesodium;hydride;thiocyanic acid;dihydrate
PubChem CID173146207
Molecular FormulaCH6NNaO2S
Molecular Weight119.12 g/mol
Exact Mass119.00
IUPAC Namesodium;hydride;thiocyanic acid;dihydrate
SMILESN#CS.O.O.[H-].[Na+]
InChIInChI=1S/CHNS.Na.2H2O.H/c2-1-3;;;;/h3H;;2*1H2;/q;+1;;;-1
InChIKeyXOMUBMWSACCELM-UHFFFAOYSA-N
XLogP-4.14
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-4.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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;hydride;thiocyanic acid;dihydrate?
The IUPAC name of sodium;hydride;thiocyanic acid;dihydrate (CID 173146207) is sodium;hydride;thiocyanic acid;dihydrate.
What is the SMILES notation for sodium;hydride;thiocyanic acid;dihydrate?
The canonical SMILES for sodium;hydride;thiocyanic acid;dihydrate is N#CS.O.O.[H-].[Na+].
What is the InChIKey of sodium;hydride;thiocyanic acid;dihydrate?
The InChIKey is XOMUBMWSACCELM-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNS.Na.2H2O.H/c2-1-3;;;;/h3H;;2*1H2;/q;+1;;;-1.
What are the key properties of sodium;hydride;thiocyanic acid;dihydrate?
sodium;hydride;thiocyanic acid;dihydrate has a molecular weight of 119.12 g/mol, XLogP of -4.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;thiocyanic acid;dihydrate is sourced from PubChem (CID 173146207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).