zinc(2+) ion ({2-[(sulfanidylmethanethioyl)amino]ethyl}carbamothioyl)sulfanide

• ChemBase ID: 111571
• Molecular Formular: C4H6N2S4Zn
• Molecular Mass: 275.74384
• Monoisotopic Mass: 273.8705242
• SMILES: [S-]C(=S)NCCNC(=S)[S-].[Zn+2]
• Canonical SMILES: [S-]C(=S)NCCNC(=S)[S-].[Zn+2]
• InChI: InChI=1S/C4H8N2S4.Zn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2
• InChIKey: AMHNZOICSMBGDH-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: zinc(2+) ion ({2-[(sulfanidylmethanethioyl)amino]ethyl}carbamothioyl)sulfanide
• IUPAC Traditional name: zinc(2+) ion ({2-[(sulfanidylmethanethioyl)amino]ethyl}carbamothioyl)sulfanide
• Synonyms: ZINC ETHYLENEBISDITHIOCARBAMATE

Database IDs

• CAS Number: 12122-67-7
• EC Number: 235-180-1
• PubChem SID: 162096692
• PubChem CID: 5284484

CALCULATED PROPERTIES

• Acid pKa: 1.735449
• H Acceptors: 0
• H Donor: 2
• LogD (pH = 5.5): -0.31330627
• LogD (pH = 7.4): -0.31710216
• Log P: 1.9688126
• Molar Refractivity: 60.759 cm^3
• Polarizability: 23.998764 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: ZH3325000
• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• Risk Statements: R:37-43-58
• Safety Statements: S:8-46-24/25-61

DETAILS

MP Biomedicals - 05219919

MP Biomedicals Rare Chemical collection