2,5-bis(trimethylsilyl)-1,3-thiazole

• ChemBase ID: 141708
• Molecular Formular: C9H19NSSi2
• Molecular Mass: 229.48986
• Monoisotopic Mass: 229.07767368
• SMILES: C[Si](C)(C)c1cnc(s1)[Si](C)(C)C
• Canonical SMILES: C[Si](c1ncc(s1)[Si](C)(C)C)(C)C
• InChI: InChI=1S/C9H19NSSi2/c1-12(2,3)8-7-10-9(11-8)13(4,5)6/h7H,1-6H3
• InChIKey: RZHDOWFVGMFXMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-bis(trimethylsilyl)-1,3-thiazole
• IUPAC Traditional name: 2,5-bis(trimethylsilyl)-1,3-thiazole
• Synonyms: 2,5-Bis(trimethylsilyl)thiazole; 2,5-二(三甲硅烷基)噻唑

Database IDs

• CAS Number: 79265-34-2
• MDL Number: MFCD09800395
• PubChem SID: 162235942
• PubChem CID: 12747840

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.3985386
• LogD (pH = 7.4): 4.40008
• Log P: 4.4001
• Molar Refractivity: 52.0268 cm^3
• Polarizability: 25.015976 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 46-56 °C; 53-57°C
• Boiling Point: 100°C/13mm
• Flash Point: >110 °C; >230 °F

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 否
• 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
• Storage Temperature: 2-8°C

Product Information

• Purity: 96%
• Grade: technical grade
• Empirical Formula (Hill Notation): C9H19NSSi2

DETAILS

Sigma Aldrich - 691577

Packaging
1, 5 g in glass bottle