bis(cyclopentanethiol); tetrachlorotitanium

• ChemBase ID: 303406
• Molecular Formular: C10H20Cl4S2Ti
• Molecular Mass: 394.0748
• Monoisotopic Mass: 391.92399966
• SMILES: C1CCC(C1)S.C1CCC(C1)S.[Ti](Cl)(Cl)(Cl)Cl
• Canonical SMILES: Cl[Ti](Cl)(Cl)Cl.SC1CCCC1.SC1CCCC1
• InChI: InChI=1S/2C5H10S.4ClH.Ti/c2*6-5-3-1-2-4-5;;;;;/h2*5-6H,1-4H2;4*1H;/q;;;;;;+4/p-4
• InChIKey: GKUGPFXHXADIDO-UHFFFAOYSA-J

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(cyclopentanethiol); tetrachlorotitanium
• IUPAC Traditional name: bis(cyclopentanethiol); titanium tetrachloride
• Synonyms: Bis(mercaptocyclopentane)titanium tetrachloride; 双(巯基环戊烷)四氯化钛

Database IDs

• CAS Number: 149391-24-2
• MDL Number: MFCD00210605

CALCULATED PROPERTIES

• Acid pKa: 10.066617
• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 1.9837053
• LogD (pH = 7.4): 1.9828488
• Log P: 1.9837162
• Molar Refractivity: 30.7523 cm^3
• Polarizability: 12.275958 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: 60°C

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3261
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 14-34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P280-P303+P361+P353-P305+P351+P338-P310-P402+P404

Product Information

• Purity: 97+%