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

Name
tert-butyl 4-methylphenyl sulfoxide
EINECS
CAS No. 49833-45-6
Article Data15
CAS DataBase
Density 1.07 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₆OS
Boiling Point 311.7 °C at 760 mmHg
Molecular Weight 196.313
Flash Point 142.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms t-Butyl p-methylphenyl sulfoxide;
PSA
LogP

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

Product Name

tert-butyl 4-methylphenyl sulfoxide

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

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