sodium;hydride;methyl thiocyanate

C2H4NNaS — CID 173405652

IUPACsodium;hydride;methyl thiocyanate
SMILESCSC#N.[H-].[Na+]
InChIInChI=1S/C2H3NS.Na.H/c1-4-2-3;;/h1H3;;/q;+1;-1
InChIKeyIOPPIEPJNYZTDT-UHFFFAOYSA-N
MW97.12 g/mol
LogP-2.05
Rot. Bonds

About sodium;hydride;methyl thiocyanate

sodium;hydride;methyl thiocyanate (PubChem CID 173405652) has the molecular formula C2H4NNaS and a molecular weight of 97.12 g/mol. Its IUPAC name is sodium;hydride;methyl thiocyanate.

Molecular Properties

Compound Namesodium;hydride;methyl thiocyanate
PubChem CID173405652
Molecular FormulaC2H4NNaS
Molecular Weight97.12 g/mol
Exact Mass97.00
IUPAC Namesodium;hydride;methyl thiocyanate
SMILESCSC#N.[H-].[Na+]
InChIInChI=1S/C2H3NS.Na.H/c1-4-2-3;;/h1H3;;/q;+1;-1
InChIKeyIOPPIEPJNYZTDT-UHFFFAOYSA-N
XLogP-2.05
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 5-2.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl thiocyanate
CID 11168
hydron;methyl thiocyanate
CID 174813851
potassium;sodium;hydride;thiocyanato thiocyanate
CID 173357519
sodium;hydride;scandium;hydrate
CID 174797344
disodium;ethene-1,1,2,2-tetracarbonitrile;hydride
CID 173357424
sodium;hydride;(methyldisulfanyl)methane
CID 173290798
magnesium;acetonitrile;hydride
CID 175350434
trisodium;hydride;thiocyanic acid
CID 174868626
tetracosasodium;hydride;dihydrate
CID 173395672
tetrasodium;hydride;trihydrate
CID 173330721
disodium;hydride;hexahydrate
CID 172995250
disodium;hydride;decahydrate
CID 173476673

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;methyl thiocyanate?
The IUPAC name of sodium;hydride;methyl thiocyanate (CID 173405652) is sodium;hydride;methyl thiocyanate.
What is the SMILES notation for sodium;hydride;methyl thiocyanate?
The canonical SMILES for sodium;hydride;methyl thiocyanate is CSC#N.[H-].[Na+].
What is the InChIKey of sodium;hydride;methyl thiocyanate?
The InChIKey is IOPPIEPJNYZTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3NS.Na.H/c1-4-2-3;;/h1H3;;/q;+1;-1.
What are the key properties of sodium;hydride;methyl thiocyanate?
sodium;hydride;methyl thiocyanate has a molecular weight of 97.12 g/mol, XLogP of -2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;methyl thiocyanate is sourced from PubChem (CID 173405652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).