$l^{1}-copper(1+) ion cyanosulfanide

• ChemBase ID: 108387
• Molecular Formular: CCuNS
• Molecular Mass: 121.6284
• Monoisotopic Mass: 120.90474251
• SMILES: [Cu+].[S-]C#N
• Canonical SMILES: [S-]C#N.[Cu+]
• InChI: InChI=1S/CHNS.Cu/c2-1-3;/h3H;/q;+1/p-1
• InChIKey: PDZKZMQQDCHTNF-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: $l^{1}-copper(1+) ion cyanosulfanide; λ^1-copper(1+) ion cyanosulfanide
• IUPAC Traditional name: copper(1+) thiocyanate; λ^1-copper(1+) ion thiocyanate
• Synonyms: CUPROUS THIOCYANATE; Copper(I) thiocyanate; 硫氰酸亚铜(I)

Database IDs

• CAS Number: 1111-67-7; 18223-42-2
• EC Number: 214-183-1
• MDL Number: MFCD00010980
• Merck Index: 142669
• PubChem SID: 162094161
• PubChem CID: 61264

CALCULATED PROPERTIES

• Acid pKa: 0.49709612
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.6371734
• LogD (pH = 7.4): -0.63722837
• Log P: 0.5057529
• Molar Refractivity: 16.0894 cm^3
• Polarizability: 5.888356 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Practically insoluble in water, alcohol. Soluble in NH4OH, ether
• Apperance: Powder
• Melting Point: 1084°C
• Density: 2.84

Safety Information

• RTECS: GL8955000
• European Hazard Symbols: Nature polluting (N); X
• UN Number: UN3077
• Hazard Class: 9
• Packing Group: III
• Risk Statements: 20/21/22-32-50/53
• Safety Statements: 13-36/37-46-61
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H312-H332-H412
• GHS Precautionary statements: P280H-P273-P301+P310-P315-P420A-P501A

Product Information

• Purity: 96% min

DETAILS

MP Biomedicals - 05207179

MP Biomedicals Rare Chemical collection