potassium;diaminomethylideneazanium;thiocyanate;hydrochloride

C2H7ClKN4S+ — CID 135837529

IUPACpotassium;diaminomethylideneazanium;thiocyanate;hydrochloride
SMILESCl.N#C[S-].NC(N)=[NH2+].[K+]
InChIInChI=1S/CH5N3.CHNS.ClH.K/c2-1(3)4;2-1-3;;/h(H5,2,3,4);3H;1H;/q;;;+1
InChIKeyXYQBOVUKRHUAMR-UHFFFAOYSA-N
MW193.72 g/mol
LogP-5.54
Rot. Bonds

About potassium;diaminomethylideneazanium;thiocyanate;hydrochloride

potassium;diaminomethylideneazanium;thiocyanate;hydrochloride (PubChem CID 135837529) has the molecular formula C2H7ClKN4S+ and a molecular weight of 193.72 g/mol. Its IUPAC name is potassium;diaminomethylideneazanium;thiocyanate;hydrochloride.

Molecular Properties

Compound Namepotassium;diaminomethylideneazanium;thiocyanate;hydrochloride
PubChem CID135837529
Molecular FormulaC2H7ClKN4S+
Molecular Weight193.72 g/mol
Exact Mass192.97
IUPAC Namepotassium;diaminomethylideneazanium;thiocyanate;hydrochloride
SMILESCl.N#C[S-].NC(N)=[NH2+].[K+]
InChIInChI=1S/CH5N3.CHNS.ClH.K/c2-1(3)4;2-1-3;;/h(H5,2,3,4);3H;1H;/q;;;+1
InChIKeyXYQBOVUKRHUAMR-UHFFFAOYSA-N
XLogP-5.54
TPSA101.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 5-5.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 potassium;diaminomethylideneazanium;thiocyanate;hydrochloride?
The IUPAC name of potassium;diaminomethylideneazanium;thiocyanate;hydrochloride (CID 135837529) is potassium;diaminomethylideneazanium;thiocyanate;hydrochloride.
What is the SMILES notation for potassium;diaminomethylideneazanium;thiocyanate;hydrochloride?
The canonical SMILES for potassium;diaminomethylideneazanium;thiocyanate;hydrochloride is Cl.N#C[S-].NC(N)=[NH2+].[K+].
What is the InChIKey of potassium;diaminomethylideneazanium;thiocyanate;hydrochloride?
The InChIKey is XYQBOVUKRHUAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5N3.CHNS.ClH.K/c2-1(3)4;2-1-3;;/h(H5,2,3,4);3H;1H;/q;;;+1.
What are the key properties of potassium;diaminomethylideneazanium;thiocyanate;hydrochloride?
potassium;diaminomethylideneazanium;thiocyanate;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of -5.54, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;diaminomethylideneazanium;thiocyanate;hydrochloride is sourced from PubChem (CID 135837529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).