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Name |
(Ethylthio)benzene |
EINECS | 210-731-9 |
CAS No. | 622-38-8 | Density | 1.021g/cm3 |
PSA | 25.30000 | LogP | 2.79860 |
Solubility | N/A | Melting Point |
-35.21 °C |
Formula | C8H10S | Boiling Point | 202.9 °C at 760 mmHg |
Molecular Weight | 138.233 | Flash Point | 73.9 °C |
Transport Information | N/A | Appearance | clear colorless to light yellow liquid |
Safety | 26-36 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Sulfide,ethyl phenyl (6CI,8CI);(Ethylthio)benzene;(Phenylthio)ethane;Ethyl phenylsulfide;NSC 75124;Phenyl ethyl sulfide;Thiophenetole; |
Article Data | 196 |
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