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Basic Information
CAS No.: 7252-86-0
Name: Benzene,1-(1,1-dimethylethyl)-4-(methylthio)
Article Data: 11
Molecular Structure:
Molecular Structure of 7252-86-0 (Benzene,1-(1,1-dimethylethyl)-4-(methylthio))
Formula: C11H16S
Molecular Weight: 180.314
Synonyms: Sulfide,p-tert-butylphenyl methyl (7CI,8CI);4-tert-Butylthioanisole;p-tert-Butylphenyl methyl sulfide;p-tert-Butylthioanisole;
Density: 0.96 g/cm3
Boiling Point: 247.3 °C at 760 mmHg
Flash Point: 101.5 °C
PSA: 25.30000
LogP: 3.70600
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Chemistry

Molecular Structure of Benzene, 1-(1,1-dimethylethyl)-4-(methylthio)- (CAS NO.7252-86-0):

IUPAC Name: 1-tert-butyl-4-methylsulfanylbenzene 
Empirical Formula: C11H16S
Molecular Weight: 180.3097
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 2
Polar Surface Area: 25.3 Å2
Index of Refraction: 1.534
Molar Refractivity: 57.91 cm3
Molar Volume: 186.2 cm3
Surface Tension: 34.2 dyne/cm
Density: 0.96 g/cm3
Flash Point: 101.5 °C
Enthalpy of Vaporization: 46.48 kJ/mol
Boiling Point: 247.3 °C at 760 mmHg
Vapour Pressure: 0.0407 mmHg at 25°C
InChI
InChI=1/C11H16S/c1-11(2,3)9-5-7-10(12-4)8-6-9/h5-8H,1-4H3
Smiles
C(c1ccc(cc1)SC)(C)(C)C

Specification

  Benzene, 1-(1,1-dimethylethyl)-4-(methylthio)- , with CAS number of 7252-86-0, can be called Sulfide,p-tert-butylphenyl methyl (7CI,8CI) ; p-tert-Butylphenyl methyl sulfide ; p-tert-Butylthioanisole ; 4-tert-Butylthioanisole .