(cyanosulfanyl)copper

• ChemBase ID: 148688
• Molecular Formular: CCuNS
• Molecular Mass: 121.6284
• Monoisotopic Mass: 120.90474251
• SMILES: C(#N)S[Cu]
• Canonical SMILES: [Cu]SC#N
• InChI: InChI=1S/CHNS.Cu/c2-1-3;/h3H;/q;+1/p-1
• InChIKey: PDZKZMQQDCHTNF-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (cyanosulfanyl)copper
• IUPAC Traditional name: cuprous thiocyanate
• Synonyms: Cuprous thiocyanate; Copper(I) thiocyanate; 硫氰化亚铜; 硫氰酸铜(I)

Database IDs

• CAS Number: 1111-67-7
• EC Number: 214-183-1
• MDL Number: MFCD00010980
• PubChem SID: 24857968; 162242863
• PubChem CID: 11029823

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.2454
• LogD (pH = 7.4): -0.2454
• Log P: -0.2454
• Molar Refractivity: 14.4491 cm^3
• Polarizability: 8.591905 Å^3
• Polar Surface Area: 23.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder

Safety Information

• RTECS: GL8955000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 20/21/22-32-50/53
• Safety Statements: 13-36/37-46-60-61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H332-H410
• GHS Precautionary statements: P273-P280-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3
• Supplemental Hazard Statements: Contact with acids liberates very toxic gas.

Product Information

• Purity: 99%
• Linear Formula: CuSCN

DETAILS

Sigma Aldrich - 298212

Application
Air- and light-stable source of Cu(I)
Packaging
50, 250 g in glass bottle