bis(piperidine-1-carbothioylsulfanyl)zinc

• ChemBase ID: 111585
• Molecular Formular: C12H20N2S4Zn
• Molecular Mass: 385.9406
• Monoisotopic Mass: 383.98007465
• SMILES: S=C(S[Zn]SC(=S)N1CCCCC1)N1CCCCC1
• Canonical SMILES: S=C(N1CCCCC1)S[Zn]SC(=S)N1CCCCC1
• InChI: InChI=1S/2C6H11NS2.Zn/c2*8-6(9)7-4-2-1-3-5-7;/h2*1-5H2,(H,8,9);/q;;+2/p-2
• InChIKey: YBKBEKGVHFHCRI-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(piperidine-1-carbothioylsulfanyl)zinc
• IUPAC Traditional name: bis(piperidine-1-carbothioylsulfanyl)zinc
• Synonyms: ZINC PENTAMETHYLENEDITHIOCARBAMATE

Database IDs

• PubChem SID: 162106541
• PubChem CID: 582053

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.179
• LogD (pH = 7.4): 3.179
• Log P: 3.179
• Molar Refractivity: 93.524796 cm^3
• Polarizability: 39.940334 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05219954

MP Biomedicals Rare Chemical collection