bis[(dibutylcarbamothioyl)sulfanyl]nickel

• ChemBase ID: 106818
• Molecular Formular: C18H36N2NiS4
• Molecular Mass: 467.44524
• Monoisotopic Mass: 466.11147606
• SMILES: CCCCN(CCCC)C(=S)S[Ni]SC(=S)N(CCCC)CCCC
• Canonical SMILES: CCCCN(C(=S)S[Ni]SC(=S)N(CCCC)CCCC)CCCC
• InChI: InChI=1S/2C9H19NS2.Ni/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2
• InChIKey: HPOWMHUJHHIQGP-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis[(dibutylcarbamothioyl)sulfanyl]nickel
• IUPAC Traditional name: bis[(dibutylcarbamothioyl)sulfanyl]nickel
• Synonyms: NICKLE DIBUTYLDITHICARBOMATE

Database IDs

• CAS Number: 13927-77-0
• PubChem SID: 162093352
• PubChem CID: 4523766

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.5648
• LogD (pH = 7.4): 6.5648
• Log P: 6.5648
• Molar Refractivity: 124.7352 cm^3
• Polarizability: 52.308067 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05201534

MP Biomedicals Rare Chemical collection