Benzene,1-methyl-4-[(2-phenylethenyl)sulfonyl]- supplier

Name
1-methyl-4-[(2-phenylethenyl)sulfonyl]benzene
EINECS
CAS No. 20605-47-4
Article Data27
CAS DataBase
Density 1.194 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₄O₂S
Boiling Point 445.9 °C at 760 mmHg
Molecular Weight 258.341
Flash Point 276.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA
LogP

Benzene,1-methyl-4-[(2-phenylethenyl)sulfonyl]- Specification

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

Product Name

1-methyl-4-[(2-phenylethenyl)sulfonyl]benzene

Benzene,1-methyl-4-[(2-phenylethenyl)sulfonyl]- Specification

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