disulfanylidenetitanium

• ChemBase ID: 145672
• Molecular Formular: S2Ti
• Molecular Mass: 111.997
• Monoisotopic Mass: 111.8920883
• SMILES: S=[Ti]=S
• Canonical SMILES: S=[Ti]=S
• InChI: InChI=1S/2S.Ti
• InChIKey: CFJRPNFOLVDFMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: disulfanylidenetitanium
• IUPAC Traditional name: titanium disulfide
• Synonyms: Titanium(IV) sulfide; 二硫化钛

Database IDs

• CAS Number: 12039-13-3
• EC Number: 234-883-0
• MDL Number: MFCD00049598
• PubChem SID: 162239876; 24860138
• PubChem CID: 61544

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.7656
• LogD (pH = 7.4): 0.7656
• Log P: 0.7656
• Molar Refractivity: 18.8676 cm^3
• Polarizability: 10.534834 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: 3174
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H252-H315-H319-H335
• GHS Precautionary statements: P235 + P410-P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3174 4.2/PG 3

Product Information

• Purity: 99.9%
• Particle Size: -200 mesh
• Linear Formula: TiS2

DETAILS

Sigma Aldrich - 333492

Packaging
10 g in glass bottle