titanium(4+) ion disulfanediide

• ChemBase ID: 302915
• Molecular Formular: S2Ti
• Molecular Mass: 111.997
• Monoisotopic Mass: 111.8920883
• SMILES: [SH2-2].[SH2-2].[Ti+4]
• Canonical SMILES: [SH2-2].[SH2-2].[Ti+4]
• InChI: InChI=1S/2S.Ti/q2*-2;+4
• InChIKey: OCDVSJMWGCXRKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: titanium(4+) ion disulfanediide
• IUPAC Traditional name: titanium(4+) ion disulfanediide
• Synonyms: Titanium(IV) sulfide; 二硫化钛(IV)

Database IDs

• CAS Number: 12039-13-3
• EC Number: 234-883-0
• MDL Number: MFCD00049598

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.06446023
• LogD (pH = 7.4): -0.7196984
• Log P: -0.0375
• Molar Refractivity: 5.7558 cm^3
• Polarizability: 3.055504 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: -200 Mesh Powder

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• UN Number: UN3134
• Hazard Class: 4.3
• Packing Group: III
• Risk Statements: 31-36/37/38
• Safety Statements: 26-28
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H261-H315-H319-H335
• GHS Precautionary statements: P231+P232-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99.8% (metals basis)