2-({2-[(2-methylprop-2-enoyl)oxy]ethyl}disulfanyl)ethyl 2-methylprop-2-enoate

• ChemBase ID: 144471
• Molecular Formular: C12H18O4S2
• Molecular Mass: 290.39892
• Monoisotopic Mass: 290.06465106
• SMILES: CC(=C)C(=O)OCCSSCCOC(=O)C(=C)C
• Canonical SMILES: O=C(C(=C)C)OCCSSCCOC(=O)C(=C)C
• InChI: InChI=1S/C12H18O4S2/c1-9(2)11(13)15-5-7-17-18-8-6-16-12(14)10(3)4/h1,3,5-8H2,2,4H3
• InChIKey: CGDNFXSLPGLMHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({2-[(2-methylprop-2-enoyl)oxy]ethyl}disulfanyl)ethyl 2-methylprop-2-enoate
• IUPAC Traditional name: 2-({2-[(2-methylprop-2-enoyl)oxy]ethyl}disulfanyl)ethyl 2-methylprop-2-enoate
• Synonyms: DSDMA; Disulfide-based dimethacrylate; Bis(2-methacryloyl)oxyethyl disulfide; 基于二硫，二甲基丙烯酸酯; 双（2-甲基丙烯）乙氧基二硫

Database IDs

• CAS Number: 36837-97-5
• MDL Number: MFCD18785736
• PubChem SID: 162238686
• PubChem CID: 23290683

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1136048
• LogD (pH = 7.4): 3.1136048
• Log P: 3.1136048
• Molar Refractivity: 76.2096 cm^3
• Polarizability: 30.069788 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >110 °C; >230 °F
• Density: 1.141 g/mL at 25 °C
• Refractive Index: n20/D 1.517

Safety Information

• German water hazard class: 3
• Storage Temperature: 2-8°C

Product Information

• Contains: ≤6000 ppm hydroquinone as stabilizer
• Empirical Formula (Hill Notation): C12H18O4S2

DETAILS

Sigma Aldrich - 735094

Packaging
5 g in glass bottle