trisodium;hydride;thiocyanic acid

CH4NNa3S — CID 174868626

IUPACtrisodium;hydride;thiocyanic acid
SMILESN#CS.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/CHNS.3Na.3H/c2-1-3;;;;;;/h3H;;;;;;/q;3*+1;3*-1
InChIKeyLBXXORRDMFPHKB-UHFFFAOYSA-N
MW131.09 g/mol
LogP-8.25
Rot. Bonds

About trisodium;hydride;thiocyanic acid

trisodium;hydride;thiocyanic acid (PubChem CID 174868626) has the molecular formula CH4NNa3S and a molecular weight of 131.09 g/mol. Its IUPAC name is trisodium;hydride;thiocyanic acid.

Molecular Properties

Compound Nametrisodium;hydride;thiocyanic acid
PubChem CID174868626
Molecular FormulaCH4NNa3S
Molecular Weight131.09 g/mol
Exact Mass130.98
IUPAC Nametrisodium;hydride;thiocyanic acid
SMILESN#CS.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/CHNS.3Na.3H/c2-1-3;;;;;;/h3H;;;;;;/q;3*+1;3*-1
InChIKeyLBXXORRDMFPHKB-UHFFFAOYSA-N
XLogP-8.25
TPSA23.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.09
LogP ≤ 5-8.25
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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Related Compounds

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CID 174758576
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CID 87960821
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CID 173339149
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Frequently Asked Questions

What is the IUPAC name of trisodium;hydride;thiocyanic acid?
The IUPAC name of trisodium;hydride;thiocyanic acid (CID 174868626) is trisodium;hydride;thiocyanic acid.
What is the SMILES notation for trisodium;hydride;thiocyanic acid?
The canonical SMILES for trisodium;hydride;thiocyanic acid is N#CS.[H-].[H-].[H-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;hydride;thiocyanic acid?
The InChIKey is LBXXORRDMFPHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNS.3Na.3H/c2-1-3;;;;;;/h3H;;;;;;/q;3*+1;3*-1.
What are the key properties of trisodium;hydride;thiocyanic acid?
trisodium;hydride;thiocyanic acid has a molecular weight of 131.09 g/mol, XLogP of -8.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;hydride;thiocyanic acid is sourced from PubChem (CID 174868626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).