disulfanylidenetungstendithiol; bis(piperidine)

• ChemBase ID: 148549
• Molecular Formular: C10H24N2S4W
• Molecular Mass: 484.41096
• Monoisotopic Mass: 484.03316378
• SMILES: C1CCNCC1.C1CCNCC1.S[W](=S)(=S)S
• Canonical SMILES: C1CCCNC1.C1CCCNC1.S[W](=S)(=S)S
• InChI: InChI=1S/2C5H11N.2H2S.2S.W/c2*1-2-4-6-5-3-1;;;;;/h2*6H,1-5H2;2*1H2;;;/q;;;;;;+2/p-2
• InChIKey: SAHMQCBVHQHDMU-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disulfanylidenetungstendithiol; bis(piperidine)
• IUPAC Traditional name: disulfanylidenetungstendithiol; bis(piperidine)
• Synonyms: Tetrathiotungstic acid, compound with piperidine (1:1); Piperidine tetrathiotungstate; 四硫代钨酸-哌啶混合物(1:1); 哌啶四硫代钨酸

Database IDs

• CAS Number: 56181-21-6
• MDL Number: MFCD01863652
• PubChem SID: 24873494; 162242724
• PubChem CID: 16213715

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.5751903
• LogD (pH = 7.4): -2.1490471
• Log P: 0.65748763
• Molar Refractivity: 26.8354 cm^3
• Polarizability: 10.75224 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >110 °C; >230 °F

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37
• 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

• Grade: technical grade
• Empirical Formula (Hill Notation): C10H24N2S4W

DETAILS

Sigma Aldrich - 510319

Packaging
10 g in glass bottle