lithium;guanidine;thiocyanate;hydrochloride

C2H6ClLiN4S — CID 173249199

IUPAClithium;guanidine;thiocyanate;hydrochloride
SMILESCl.N#C[S-].[H]N=C(N)N.[Li+]
InChIInChI=1S/CH5N3.CHNS.ClH.Li/c2-1(3)4;2-1-3;;/h(H5,2,3,4);3H;1H;/q;;;+1/p-1
InChIKeyWOSQESYFYGCGNS-UHFFFAOYSA-M
MW160.56 g/mol
LogP-3.72
Rot. Bonds

About lithium;guanidine;thiocyanate;hydrochloride

lithium;guanidine;thiocyanate;hydrochloride (PubChem CID 173249199) has the molecular formula C2H6ClLiN4S and a molecular weight of 160.56 g/mol. Its IUPAC name is lithium;guanidine;thiocyanate;hydrochloride.

Molecular Properties

Compound Namelithium;guanidine;thiocyanate;hydrochloride
PubChem CID173249199
Molecular FormulaC2H6ClLiN4S
Molecular Weight160.56 g/mol
Exact Mass160.02
IUPAC Namelithium;guanidine;thiocyanate;hydrochloride
SMILESCl.N#C[S-].[H]N=C(N)N.[Li+]
InChIInChI=1S/CH5N3.CHNS.ClH.Li/c2-1(3)4;2-1-3;;/h(H5,2,3,4);3H;1H;/q;;;+1/p-1
InChIKeyWOSQESYFYGCGNS-UHFFFAOYSA-M
XLogP-3.72
TPSA99.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.56
LogP ≤ 5-3.72
H-Bond Donors ≤ 53
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_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium;guanidine;thiocyanate;hydrochloride?
The IUPAC name of lithium;guanidine;thiocyanate;hydrochloride (CID 173249199) is lithium;guanidine;thiocyanate;hydrochloride.
What is the SMILES notation for lithium;guanidine;thiocyanate;hydrochloride?
The canonical SMILES for lithium;guanidine;thiocyanate;hydrochloride is Cl.N#C[S-].[H]N=C(N)N.[Li+].
What is the InChIKey of lithium;guanidine;thiocyanate;hydrochloride?
The InChIKey is WOSQESYFYGCGNS-UHFFFAOYSA-M. The full InChI is InChI=1S/CH5N3.CHNS.ClH.Li/c2-1(3)4;2-1-3;;/h(H5,2,3,4);3H;1H;/q;;;+1/p-1.
What are the key properties of lithium;guanidine;thiocyanate;hydrochloride?
lithium;guanidine;thiocyanate;hydrochloride has a molecular weight of 160.56 g/mol, XLogP of -3.72, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;guanidine;thiocyanate;hydrochloride is sourced from PubChem (CID 173249199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).