1,4-diethenylbenzene; [(methylsulfanyl)methyl]benzene; ethenylbenzene

• ChemBase ID: 137669
• Molecular Formular: C26H28S
• Molecular Mass: 372.56552
• Monoisotopic Mass: 372.1911719
• SMILES: CSCc1ccccc1.C=Cc1ccccc1.C=Cc1ccc(cc1)C=C
• Canonical SMILES: C=Cc1ccccc1.C=Cc1ccc(cc1)C=C.CSCc1ccccc1
• InChI: InChI=1S/C10H10.C8H10S.C8H8/c1-3-9-5-7-10(4-2)8-6-9;1-9-7-8-5-3-2-4-6-8;1-2-8-6-4-3-5-7-8/h3-8H,1-2H2;2-6H,7H2,1H3;2-7H,1H2
• InChIKey: PUFWJGCUMBAVCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-diethenylbenzene; [(methylsulfanyl)methyl]benzene; ethenylbenzene
• IUPAC Traditional name: benzene, (methylthio)methyl -; divinylbenzene; styrene
• Synonyms: S-(Methyl)thiomethyl polystyrene resin; Methylsulfanylmethyl, polymer-bound; S-(甲基)硫代甲基聚苯乙烯树脂; 聚合物键合型甲基硫烷基甲基

Database IDs

• MDL Number: MFCD03457481
• PubChem SID: 24874703; 162231931
• PubChem CID: 16213859

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.44665
• LogD (pH = 7.4): 3.44665
• Log P: 3.44665
• Molar Refractivity: 45.4306 cm^3
• Polarizability: 17.497032 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Particle Size: 100-200 mesh
• Extent of Labeling: 0.5-1.5 mmol/g loading
• Crosslinking: 1 % cross-linked with divinylbenzene