The CAS registry number of Benzenethiol, 3-nitro- is 3814-18-4. Its molecular formula is C₆H₅NO₂S and molecular weight is 155.1744. Its systematic name and IUPAC name are the same which is called 3-nitrobenzenethiol.

Physical properties about Benzenethiol, 3-nitro- are: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Index of Refraction: 1.638; (7)Molar Refractivity: 40.97 cm³; (8)Molar Volume: 113.8 cm³; (9)Surface Tension: 55.7 dyne/cm; (10)Density: 1.362 g/cm³; (11)Flash Point: 109.1 °C; (12)Enthalpy of Vaporization: 47.44 kJ/mol; (13)Boiling Point: 256.8 °C at 760 mmHg; (14)Vapour Pressure: 0.0242 mmHg at 25°C.

Preparation: this chemical can be prepared by bis-(3-nitro-phenyl)-disulfide. This reaction will need reagents 0.1 N HCl, polystyryldiphenylphosphine and solvent tetrahydrofuran. The reaction time is 15 mins with reaction temperature of 25 °C. The yield is about 96 %.

Uses of Benzenethiol, 3-nitro-: it can be used to produce m-Nitrophenyl-phenylsulfid by heating. This reaction will need reagent K₂CO₃. The yield is about 66 %.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(S)ccc1
(2)InChI: InChI=1/C6H5NO2S/c8-7(9)5-2-1-3-6(10)4-5/h1-4,10H
(3)InChIKey: HBCSOCHVMJKLLO-UHFFFAOYAE