mercury(2+) ion bis(cyanosulfanide)

• ChemBase ID: 295059
• Molecular Formular: C2HgN2S2
• Molecular Mass: 316.7548
• Monoisotopic Mass: 317.92093301
• SMILES: C(#N)[S-].C(#N)[S-].[Hg+2]
• Canonical SMILES: [S-]C#N.[S-]C#N.[Hg+2]
• InChI: InChI=1S/2CHNS.Hg/c2*2-1-3;/h2*3H;/q;;+2/p-2
• InChIKey: GBZANUMDJPCQHY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: mercury(2+) ion bis(cyanosulfanide)
• IUPAC Traditional name: mercury(2+) ion dithiocyanate
• Synonyms: Mercury(II) thiocyanate; 硫氰酸汞(II)

Database IDs

• CAS Number: 592-85-8
• EC Number: 209-773-0
• MDL Number: MFCD00011039
• Beilstein Number: 3561344
• Merck Index: 145890
• PubChem SID: 180680590
• PubChem CID: 11615

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

• Apperance: Powder
• Melting Point: ca 165°C dec.
• Density: 3.71

Safety Information

• Storage Warning: Hygroscopic
• RTECS: XL1550000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: UN1646
• Hazard Class: 6.1
• Packing Group: II
• Risk Statements: 26/27/28-32-33-50/53
• Safety Statements: 13-28-36/37-45-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Hazard statements: H300-H311-H330-H373-H400-H410
• GHS Precautionary statements: P260-P301+P310-P304+P340-P320-P330-P361-P405-P501A