ETHYL PHENYL SULFIDE

The Benzene, (ethylthio)-, with CAS registry number 622-38-8, has the systematic name of (ethylsulfanyl)benzene. This chemical is a kind of clear colorless to light yellow liquid. And the chemical formula of this chemical is C₈H₁₀S. What's more, its EINECS is 210-731-9.

Physical properties of Benzene, (ethylthio)-: (1)ACD/LogP: 3.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.24; (4)ACD/LogD (pH 7.4): 3.24; (5)ACD/BCF (pH 5.5): 169.48; (6)ACD/BCF (pH 7.4): 169.48; (7)ACD/KOC (pH 5.5): 1371.54; (8)ACD/KOC (pH 7.4): 1371.54; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 25.3 Å²; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 44.02 cm³; (15)Molar Volume: 136.7 cm³; (16)Polarizability: 17.45×10^-24cm³; (17)Surface Tension: 36.4 dyne/cm; (18)Density: 1.01 g/cm³; (19)Flash Point: 73.9 °C; (20)Enthalpy of Vaporization: 42.12 kJ/mol; (21)Boiling Point: 202.9 °C at 760 mmHg; (22)Vapour Pressure: 0.406 mmHg at 25°C.

Preparation: this chemical can be prepared by ethanol and benzenethiol. This reaction will need reagent aluminium oxide. The reaction temperature is 350 ℃.

Uses of Benzene, (ethylthio)-: it can be used to produce ethanesulfinyl-benzene. This reaction will need reagent NaBrO₃ and solvent Mg(HSO₄)₂. The reaction time is 1.5 hour(s). The yield is about 88%.

When you are using this chemical, please be cautious about it as the following:
The Benzene, (ethylthio)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: S(c1ccccc1)CC
(2)InChI: InChI=1/C8H10S/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3
(3)InChIKey: AEHWKBXBXYNPCX-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C8H10S/c1-2-9-8-6-4-3-5-7-8/h3-7H,2H2,1H3
(5)Std. InChIKey: AEHWKBXBXYNPCX-UHFFFAOYSA-N