diammonium 1,2,3,4,5,7,8,9,10,11,12,13,14,15,16-pentadecathia-6-platinaspiro[5.56.56]hexadecane-6,6-diuide

• ChemBase ID: 134533
• Molecular Formular: H8N2PtS15
• Molecular Mass: 712.12992
• Monoisotopic Mass: 710.61460427
• SMILES: [NH4+].[NH4+].S1SS[Pt-2]23(SS1)(SSSSS2)SSSSS3
• Canonical SMILES: S1SSSS[Pt-2]231(SSSSS2)SSSSS3.[NH4+].[NH4+]
• InChI: InChI=1S/2H3N.Pt.3H2S5/c;;;3*1-3-5-4-2/h2*1H3;;3*1-2H/q;;+4;;;/p-4
• InChIKey: VGFSNEFOSRVZPY-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: diammonium 1,2,3,4,5,7,8,9,10,11,12,13,14,15,16-pentadecathia-6-platinaspiro[5.5^6.5^6]hexadecane-6,6-diuide
• IUPAC Traditional name: diammonium 1,2,3,4,5,7,8,9,10,11,12,13,14,15,16-pentadecathia-6-platinaspiro[5.5^6.5^6]hexadecane-6,6-diuide
• Synonyms: Ammonium tris(pentasulfido)platinate(IV)

Database IDs

• CAS Number: 17611-65-3
• MDL Number: MFCD05664247
• PubChem SID: 162228809; 24880715
• PubChem CID: 16217277

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 9.2475
• LogD (pH = 7.4): 9.2475
• Log P: 9.2475
• Molar Refractivity: 86.337 cm^3
• Polarizability: 53.307804 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: 182 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99.99% trace metals basis
• Empirical Formula (Hill Notation): H8N2PtS15