The Benzene,1-nitro-2-(phenylthio)-, with the CAS registry number 4171-83-9, is also known as 2-Nitrodiphenyl sulfide. This chemical's molecular formula is C₁₂H₉NO₂S and formula weight is 231.27. What's more, its IUPAC name is 1-nitro-2-phenylsulfanylbenzene. 

Physical properties of Benzene,1-nitro-2-(phenylthio)- are: (1)ACD/LogP: 4.38; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 71.12 Å²; (7)Index of Refraction: 1.665; (8)Molar Refractivity: 65.5 cm³; (9)Molar Volume: 176.3 cm³; (10)Surface Tension: 58.1 dyne/cm; (11)Density: 1.31 g/cm³; (12)Flash Point: 161.4 °C; (13)Enthalpy of Vaporization: 56.4 kJ/mol; (14)Boiling Point: 343.3 °C at 760 mmHg; (15)Vapour Pressure: 0.000141 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-chloro-2-nitro-benzene, benzenethiol at the temperature of -3-2°C. This reaction will need reagent KOH and solvent dimethylformamide, H₂O with the reaction time of 40 min. The yield is about 99.9%.

Uses of Benzene,1-nitro-2-(phenylthio)-: it can be used to produce (2-nitro-phenyl)-phenyl sulfone at the temperature of 35-40°C. It will need reagent H₂O₂ and solvent acetic acid with the reaction time of 30 min. The yield is about 94.8%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When using it, you should wear suitable protective clothing. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)SC2=CC=CC=C2[N+](=O)[O-]
(2)InChI: InChI=1S/C12H9NO2S/c14-13(15)11-8-4-5-9-12(11)16-10-6-2-1-3-7-10/h1-9H
(3)InChIKey: ZPWNCSAEXUDWTN-UHFFFAOYSA-N