cesium;guanidine;hydride;thiocyanic acid;hydrochloride

C2H8ClCsN4S — CID 173007228

IUPACcesium;guanidine;hydride;thiocyanic acid;hydrochloride
SMILESCl.N#CS.[Cs+].[H-].[H]N=C(N)N
InChIInChI=1S/CH5N3.CHNS.ClH.Cs.H/c2-1(3)4;2-1-3;;;/h(H5,2,3,4);3H;1H;;/q;;;+1;-1
InChIKeyATORWZDWEFTKFX-UHFFFAOYSA-N
MW288.54 g/mol
LogP-3.23
Rot. Bonds

About cesium;guanidine;hydride;thiocyanic acid;hydrochloride

cesium;guanidine;hydride;thiocyanic acid;hydrochloride (PubChem CID 173007228) has the molecular formula C2H8ClCsN4S and a molecular weight of 288.54 g/mol. Its IUPAC name is cesium;guanidine;hydride;thiocyanic acid;hydrochloride.

Molecular Properties

Compound Namecesium;guanidine;hydride;thiocyanic acid;hydrochloride
PubChem CID173007228
Molecular FormulaC2H8ClCsN4S
Molecular Weight288.54 g/mol
Exact Mass287.92
IUPAC Namecesium;guanidine;hydride;thiocyanic acid;hydrochloride
SMILESCl.N#CS.[Cs+].[H-].[H]N=C(N)N
InChIInChI=1S/CH5N3.CHNS.ClH.Cs.H/c2-1(3)4;2-1-3;;;/h(H5,2,3,4);3H;1H;;/q;;;+1;-1
InChIKeyATORWZDWEFTKFX-UHFFFAOYSA-N
XLogP-3.23
TPSA99.68 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.54
LogP ≤ 5-3.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cesium;guanidine;hydride;thiocyanic acid;hydrochloride?
The IUPAC name of cesium;guanidine;hydride;thiocyanic acid;hydrochloride (CID 173007228) is cesium;guanidine;hydride;thiocyanic acid;hydrochloride.
What is the SMILES notation for cesium;guanidine;hydride;thiocyanic acid;hydrochloride?
The canonical SMILES for cesium;guanidine;hydride;thiocyanic acid;hydrochloride is Cl.N#CS.[Cs+].[H-].[H]N=C(N)N.
What is the InChIKey of cesium;guanidine;hydride;thiocyanic acid;hydrochloride?
The InChIKey is ATORWZDWEFTKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N3.CHNS.ClH.Cs.H/c2-1(3)4;2-1-3;;;/h(H5,2,3,4);3H;1H;;/q;;;+1;-1.
What are the key properties of cesium;guanidine;hydride;thiocyanic acid;hydrochloride?
cesium;guanidine;hydride;thiocyanic acid;hydrochloride has a molecular weight of 288.54 g/mol, XLogP of -3.23, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;guanidine;hydride;thiocyanic acid;hydrochloride is sourced from PubChem (CID 173007228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).