trimethylsulfanium bromide

• ChemBase ID: 296012
• Molecular Formular: C3H9BrS
• Molecular Mass: 157.07256
• Monoisotopic Mass: 155.96083329
• SMILES: C[S+](C)C.[Br-]
• Canonical SMILES: C[S+](C)C.[Br-]
• InChI: InChI=1S/C3H9S.BrH/c1-4(2)3;/h1-3H3;1H/q+1;/p-1
• InChIKey: GOTIICCWNAPLMN-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethylsulfanium bromide
• IUPAC Traditional name: trimethylsulfonium bromide
• Synonyms: Trimethylsulfonium bromide; 三甲基溴化锍

Database IDs

• CAS Number: 3084-53-5
• MDL Number: MFCD00051367
• PubChem SID: 180681543
• PubChem CID: 2735154

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.07723071
• LogD (pH = 7.4): -0.07723071
• Log P: -0.07723071
• Molar Refractivity: 22.4031 cm^3
• Polarizability: 9.693327 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 203°C subl.

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%