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Name |
Benzene,1-methyl-4-[(2-phenylethenyl)sulfonyl]- |
EINECS | N/A |
CAS No. | 20605-47-4 | Density | 1.194 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H14O2S | Boiling Point | 445.9 °C at 760 mmHg |
Molecular Weight | 258.341 | Flash Point | 276.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Sulfone,styryl p-tolyl (6CI,7CI,8CI);1-Methyl-4-[(2-phenylethenyl)sulfonyl]benzene;2-Phenyl-1-(p-tolylsulfonyl)ethene;NSC 266353;Styryl p-tolyl sulfone; |
Article Data | 27 |
The Benzene, 1-methyl-4-[(2-phenylethenyl)sulfonyl]-, with the CAS registry number 20605-47-4, is also known as 2-Phenyl-1-(p-tolylsulfonyl)ethene. This chemical's molecular formula is C15H14O2S and molecular weight is 258.3355. What's more, its IUPAC name is 1-Methyl-4-(2-phenylethenylsulfonyl)benzene.
Physical properties about Benzene, 1-methyl-4-[(2-phenylethenyl)sulfonyl]- are: (1)ACD/LogP: 3.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.79; (4)ACD/LogD (pH 7.4): 3.79; (5)ACD/BCF (pH 5.5): 449.48; (6)ACD/BCF (pH 7.4): 449.48; (7)ACD/KOC (pH 5.5): 2756.87; (8)ACD/KOC (pH 7.4): 2756.87; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 42.52 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 74.07 cm3; (15)Molar Volume: 216.3 cm3; (16)Polarizability: 29.36×10-24 cm3; (17)Surface Tension: 45.9 dyne/cm; (18)Density: 1.194 g/cm3; (19)Flash Point: 276.4 °C; (20)Enthalpy of Vaporization: 67.68 kJ/mol; (21)Boiling Point: 445.9 °C at 760 mmHg; (22)Vapour Pressure: 1E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(C=Cc1ccccc1)c2ccc(cc2)C
(2) InChI: InChI=1/C15H14O2S/c1-13-7-9-15(10-8-13)18(16,17)12-11-14-5-3-2-4-6-14/h2-12H,1H3
(3) InChIKey: PIALZYNUNCIZLT-UHFFFAOYAH