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Benzene,1-[(1,1-dimethylethyl)sulfinyl]-4-methyl-

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Name

Benzene,1-[(1,1-dimethylethyl)sulfinyl]-4-methyl-

EINECS N/A
CAS No. 49833-45-6 Density 1.07 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C11H16OS Boiling Point 311.7 °C at 760 mmHg
Molecular Weight 196.313 Flash Point 142.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 49833-45-6 (tert-butyl 4-methylphenyl sulfoxide) Hazard Symbols N/A
Synonyms

t-Butyl p-methylphenyl sulfoxide;

Article Data 15

Benzene,1-[(1,1-dimethylethyl)sulfinyl]-4-methyl- Specification

The Benzene,1-[(1,1-dimethylethyl)sulfinyl]-4-methyl-, with the CAS registry number 49833-45-6, is also known as t-Butyl p-methylphenyl sulfoxide. This chemical's molecular formula is C11H16OS and molecular weight is 196.31. What's more, its systematic name is tert-butyl 4-methylphenyl sulfoxide.

Physical properties of Benzene,1-[(1,1-dimethylethyl)sulfinyl]-4-methyl- are: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.24; (5)ACD/BCF (pH 5.5): 29.59; (6)ACD/BCF (pH 7.4): 29.59; (7)ACD/KOC (pH 5.5): 393.23; (8)ACD/KOC (pH 7.4): 393.23; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 36.28 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 58.77 cm3; (15)Molar Volume: 182.8 cm3; (16)Polarizability: 23.29×10-24cm3; (17)Surface Tension: 44.2 dyne/cm; (18)Density: 1.07 g/cm3; (19)Flash Point: 142.3 °C; (20)Enthalpy of Vaporization: 53.06 kJ/mol; (21)Boiling Point: 311.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00102 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(c1ccc(cc1)C)C(C)(C)C
(2)Std. InChI: InChI=1S/C11H16OS/c1-9-5-7-10(8-6-9)13(12)11(2,3)4/h5-8H,1-4H3
(3)Std. InChIKey: CUHLCVDOSQPTSU-UHFFFAOYSA-N

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