potassium;(diaminomethylideneamino) thiocyanate;iodide

C2H4IKN4S — CID 87458802

IUPACpotassium;(diaminomethylideneamino) thiocyanate;iodide
SMILESN#CSN=C(N)N.[I-].[K+]
InChIInChI=1S/C2H4N4S.HI.K/c3-1-7-6-2(4)5;;/h(H4,4,5,6);1H;/q;;+1/p-1
InChIKeyKGDGMWQPUAULLG-UHFFFAOYSA-M
MW282.15 g/mol
LogP-6.60
Rot. Bonds1

About potassium;(diaminomethylideneamino) thiocyanate;iodide

potassium;(diaminomethylideneamino) thiocyanate;iodide (PubChem CID 87458802) has the molecular formula C2H4IKN4S and a molecular weight of 282.15 g/mol. Its IUPAC name is potassium;(diaminomethylideneamino) thiocyanate;iodide.

Molecular Properties

Compound Namepotassium;(diaminomethylideneamino) thiocyanate;iodide
PubChem CID87458802
Molecular FormulaC2H4IKN4S
Molecular Weight282.15 g/mol
Exact Mass281.88
IUPAC Namepotassium;(diaminomethylideneamino) thiocyanate;iodide
SMILESN#CSN=C(N)N.[I-].[K+]
InChIInChI=1S/C2H4N4S.HI.K/c3-1-7-6-2(4)5;;/h(H4,4,5,6);1H;/q;;+1/p-1
InChIKeyKGDGMWQPUAULLG-UHFFFAOYSA-M
XLogP-6.60
TPSA88.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.15
LogP ≤ 5-6.60
H-Bond Donors ≤ 52
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(diaminomethylideneamino) thiocyanate;ethanol
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cesium;(diaminomethylideneamino) thiocyanate;hydride;2,2,2-trifluoroacetic acid
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azane;2-cyanoguanidine
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CID 87768298
(methyldiazenyl) thiocyanate
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bis(2-cyanoguanidine);cyclohexane
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2-(2-cyano-3-fluorophenyl)guanidine
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oxalonitrile;thiourea
CID 160888969
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CID 131868800

Frequently Asked Questions

What is the IUPAC name of potassium;(diaminomethylideneamino) thiocyanate;iodide?
The IUPAC name of potassium;(diaminomethylideneamino) thiocyanate;iodide (CID 87458802) is potassium;(diaminomethylideneamino) thiocyanate;iodide.
What is the SMILES notation for potassium;(diaminomethylideneamino) thiocyanate;iodide?
The canonical SMILES for potassium;(diaminomethylideneamino) thiocyanate;iodide is N#CSN=C(N)N.[I-].[K+].
What is the InChIKey of potassium;(diaminomethylideneamino) thiocyanate;iodide?
The InChIKey is KGDGMWQPUAULLG-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4N4S.HI.K/c3-1-7-6-2(4)5;;/h(H4,4,5,6);1H;/q;;+1/p-1.
What are the key properties of potassium;(diaminomethylideneamino) thiocyanate;iodide?
potassium;(diaminomethylideneamino) thiocyanate;iodide has a molecular weight of 282.15 g/mol, XLogP of -6.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;(diaminomethylideneamino) thiocyanate;iodide is sourced from PubChem (CID 87458802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).