| Identification | |
| Name: | Benzene,1-(ethylthio)-3-nitro- |
| Synonyms: | Sulfide,ethyl m-nitrophenyl (6CI,7CI,8CI);Ethyl 3-nitrophenyl sulfide;1-(Ethylsulfanyl)-3-nitrobenzene;1-ethylsulfanyl-3-nitro-benzene; |
| CAS: | 34126-43-7 |
| Molecular Formula: | C8H9NO2S |
| Molecular Weight: | 183.23 |
| InChI: | InChI=1/C8H9NO2S/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.23 g/cm3 |
| Refractive index: | 1.586 |
| Specification: |
The 3-Nitrophenyl ethyl sulfide, with the cas registry number 34126-43-7, has the systematic name of 1-ethylsulfanyl-3-nitro-benzene. The molecular formula of the chemical is C8H9NO2S. The characteristics of this chemical are as followings: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 3.17; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 71.12 Å2; (9)Index of Refraction: 1.586; (10)Molar Refractivity: 50.05 cm3; (11)Molar Volume: 148.9 cm3; (12)Polarizability: 19.84×10-24cm3; (13)Surface Tension: 48.5 dyne/cm; (14)Density: 1.23 g/cm3; (15)Flash Point: 121.8 °C; (16)Enthalpy of Vaporization: 49.56 kJ/mol; (17)Boiling Point: 277.8 °C at 760 mmHg; (18)Vapour Pressure: 0.00747 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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