bis(cyanosulfanyl)copper

• ChemBase ID: 110423
• Molecular Formular: C2CuN2S2
• Molecular Mass: 179.7108
• Monoisotopic Mass: 178.87988751
• SMILES: N#CS[Cu]SC#N
• Canonical SMILES: N#CS[Cu]SC#N
• InChI: InChI=1S/2CHNS.Cu/c2*2-1-3;/h2*3H;/q;;+2/p-2
• InChIKey: BQVVSSAWECGTRN-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(cyanosulfanyl)copper
• IUPAC Traditional name: bis(cyanosulfanyl)copper
• Synonyms: CUPRIC THIOCYANATE

Database IDs

• CAS Number: 1111-67-7
• PubChem SID: 162095915
• PubChem CID: 11062985

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.2592
• LogD (pH = 7.4): 0.2592
• Log P: 0.2592
• Molar Refractivity: 28.8982 cm^3
• Polarizability: 13.749436 Å^3
• Polar Surface Area: 47.58 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05214943

MP Biomedicals Rare Chemical collection