lithium;hydride;hydron;thiocyanic acid

CH3LiNS+ — CID 174838780

IUPAClithium;hydride;hydron;thiocyanic acid
SMILESN#CS.[H+].[H-].[Li+]
InChIInChI=1S/CHNS.Li.H/c2-1-3;;/h3H;;/q;+1;-1/p+1
InChIKeyQTJTZPGZMOFODG-UHFFFAOYSA-O
MW68.05 g/mol
LogP-2.37
Rot. Bonds

About lithium;hydride;hydron;thiocyanic acid

lithium;hydride;hydron;thiocyanic acid (PubChem CID 174838780) has the molecular formula CH3LiNS+ and a molecular weight of 68.05 g/mol. Its IUPAC name is lithium;hydride;hydron;thiocyanic acid.

Molecular Properties

Compound Namelithium;hydride;hydron;thiocyanic acid
PubChem CID174838780
Molecular FormulaCH3LiNS+
Molecular Weight68.05 g/mol
Exact Mass68.01
IUPAC Namelithium;hydride;hydron;thiocyanic acid
SMILESN#CS.[H+].[H-].[Li+]
InChIInChI=1S/CHNS.Li.H/c2-1-3;;/h3H;;/q;+1;-1/p+1
InChIKeyQTJTZPGZMOFODG-UHFFFAOYSA-O
XLogP-2.37
TPSA23.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50068.05
LogP ≤ 5-2.37
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

calcium;hydride;thiocyanic acid
CID 173280963
trisodium;hydride;thiocyanic acid
CID 174868626
azane;hydron;thiocyanic acid
CID 174791541
octanonacontasodium;thiocyanic acid
CID 173362917
molybdenum;thiocyanic acid
CID 87140059
methane;thiocyanic acid
CID 175305426
azane;gold;thiocyanic acid
CID 87960821
azane;thiocyanic acid;zinc
CID 88760762
azane;cobalt;thiocyanic acid
CID 173339149
thiocyanic acid;hydrochloride;hydroiodide
CID 172734142
disodium;hydride;sulfurothioic O-acid;thiocyanic acid
CID 173352613
methanol;thiocyanic acid;dihydrochloride
CID 172721148

Frequently Asked Questions

What is the IUPAC name of lithium;hydride;hydron;thiocyanic acid?
The IUPAC name of lithium;hydride;hydron;thiocyanic acid (CID 174838780) is lithium;hydride;hydron;thiocyanic acid.
What is the SMILES notation for lithium;hydride;hydron;thiocyanic acid?
The canonical SMILES for lithium;hydride;hydron;thiocyanic acid is N#CS.[H+].[H-].[Li+].
What is the InChIKey of lithium;hydride;hydron;thiocyanic acid?
The InChIKey is QTJTZPGZMOFODG-UHFFFAOYSA-O. The full InChI is InChI=1S/CHNS.Li.H/c2-1-3;;/h3H;;/q;+1;-1/p+1.
What are the key properties of lithium;hydride;hydron;thiocyanic acid?
lithium;hydride;hydron;thiocyanic acid has a molecular weight of 68.05 g/mol, XLogP of -2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;hydron;thiocyanic acid is sourced from PubChem (CID 174838780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).